data_2leu_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2leu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.558 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 121.883 0.849 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.65 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 24.9 t80 -75.72 168.14 20.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.977 0.894 . . . . 0.0 110.941 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.771 ' HB2' HG13 ' A' ' 7' ' ' VAL . 30.6 m-85 -145.96 -169.18 3.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.276 0.56 . . . . 0.0 110.768 -174.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.45 -169.47 0.1 OUTLIER Glycine 0 C--N 1.32 -0.328 0 CA-C-O 123.05 1.361 . . . . 0.0 113.01 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.657 ' CG ' ' HB3' ' A' ' 24' ' ' ALA . 29.9 m120 -46.68 125.44 7.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.262 1.029 . . . . 0.0 112.813 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.641 ' O ' HG11 ' A' ' 16' ' ' VAL . . . 47.43 41.05 16.72 Favored Glycine 0 C--O 1.241 0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.669 173.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.83 HG23 HG23 ' A' ' 16' ' ' VAL . 7.0 t -128.65 126.4 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 O-C-N 121.463 -1.022 . . . . 0.0 111.393 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.65 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -147.78 100.51 3.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.83 0.824 . . . . 0.0 111.336 179.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.552 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . 8.6 m -99.14 121.16 40.64 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.1 66.27 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.907 1.337 . . . . 0.0 112.147 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -176.66 29.77 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.712 1.72 . . . . 0.0 111.528 173.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p 59.72 51.42 6.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.701 1.715 . . . . 0.0 109.622 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.56 125.31 0.97 Allowed Glycine 0 N--CA 1.46 0.271 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 58.8 m -64.44 173.25 2.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.895 1.331 . . . . 0.0 111.826 -173.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.14 48.04 0.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.279 1.037 . . . . 0.0 110.598 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.83 HG23 HG23 ' A' ' 7' ' ' VAL . 26.0 t -52.33 122.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.016 0.912 . . . . 0.0 111.643 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.3 91.25 1.69 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.249 1.023 . . . . 0.0 110.428 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -60.36 -12.93 10.56 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.41 -52.15 4.34 Favored Glycine 0 N--CA 1.464 0.512 0 O-C-N 121.278 -0.889 . . . . 0.0 111.04 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.955 0.883 . . . . 0.0 112.814 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.737 0.779 . . . . 0.0 111.124 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.744 ' O ' HG21 ' A' ' 26' ' ' VAL . 7.0 t80 -69.25 -40.12 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.023 0.916 . . . . 0.0 110.97 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -75.28 -31.19 60.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.973 0.892 . . . . 0.0 110.997 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.657 ' HB3' ' CG ' ' A' ' 5' ' ' ASN . . . -66.61 -39.6 88.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.872 0.844 . . . . 0.0 111.06 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.57 -34.98 59.61 Favored Glycine 0 N--CA 1.462 0.403 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.744 HG21 ' O ' ' A' ' 22' ' ' PHE . 88.9 t -64.74 -55.13 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 123.032 1.396 . . . . 0.0 110.365 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -46.74 -40.78 14.08 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.186 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.68 80.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.976 0.893 . . . . 0.0 110.945 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.818 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.1 -32.37 61.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.766 0.793 . . . . 0.0 110.921 175.553 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.84 56.36 1.85 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.699 1.237 . . . . 0.0 111.224 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.237 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.401 ' HG2' ' HE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.952 0.882 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.453 ' CD1' ' CD2' ' A' ' 8' ' ' HIS . 13.1 m-30 -86.2 156.66 20.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.979 0.895 . . . . 0.0 111.154 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.404 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.1 m-30 -120.14 33.36 5.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.18 0.99 . . . . 0.0 110.774 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 -126.16 5.08 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.28 86.55 5.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.897 0.856 . . . . 0.0 111.015 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.84 49.93 8.85 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.519 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.91 HG23 HG23 ' A' ' 16' ' ' VAL . 96.3 t -101.22 82.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.621 -0.929 . . . . 0.0 110.991 174.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.453 ' CD2' ' CD1' ' A' ' 2' ' ' TYR . 3.1 m80 -90.22 115.4 27.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.092 0.949 . . . . 0.0 111.22 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.9 m -93.48 138.16 32.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.96 0.886 . . . . 0.0 110.879 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -177.19 4.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.068 0.937 . . . . 0.0 111.001 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -30.29 71.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.48 0.657 . . . . 0.0 111.171 174.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -87.11 -8.42 57.03 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.567 -0.708 . . . . 0.0 112.789 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.23 163.97 10.86 Favored Glycine 0 C--N 1.318 -0.471 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -77.9 136.58 38.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.008 0.909 . . . . 0.0 110.971 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 t -151.97 133.5 14.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.963 0.887 . . . . 0.0 110.984 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.91 HG23 HG23 ' A' ' 7' ' ' VAL . 42.5 t -96.9 111.93 27.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.086 0.946 . . . . 0.0 111.073 -174.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -69.16 94.06 0.65 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 0.0 110.982 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -72.76 2.41 6.69 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.44 -53.7 0.98 Allowed Glycine 0 N--CA 1.463 0.435 0 O-C-N 121.092 -1.005 . . . . 0.0 111.307 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.59 -18.64 60.21 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.715 -0.873 . . . . 0.0 112.727 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.05 17.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.825 0.821 . . . . 0.0 110.957 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -59.57 -46.46 88.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.189 0.995 . . . . 0.0 110.799 174.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -42.7 95.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.56 -48.91 57.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.368 1.08 . . . . 0.0 110.757 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -64.93 -47.48 82.21 Favored Glycine 0 N--CA 1.46 0.244 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -61.28 -30.51 48.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.211 -0.582 . . . . 0.0 111.279 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -35.97 82.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.168 0.985 . . . . 0.0 109.543 173.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.572 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 3.7 mtp180 -58.06 -68.3 0.26 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.699 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -50.17 -28.55 7.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.743 0.782 . . . . 0.0 111.687 174.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.62 48.66 1.08 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.657 1.218 . . . . 0.0 111.293 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 . . . . . 0 C--N 1.322 -0.587 0 CA-C-O 122.112 0.958 . . . . 0.0 110.586 174.419 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.732 ' HD2' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.463 0 CA-C-O 123.267 1.508 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.687 ' HD1' ' CD2' ' A' ' 8' ' ' HIS . 84.0 t80 -111.54 -3.61 15.07 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.516 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 49.56 24.32 1.12 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.327 -0.858 . . . . 0.0 112.243 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.533 ' HA2' ' CD2' ' A' ' 2' ' ' TYR . . . 18.97 81.92 0.01 OUTLIER Glycine 0 C--N 1.319 -0.408 0 C-N-CA 125.138 1.351 . . . . 0.0 116.376 -174.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.65 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.544 1.164 . . . . 0.0 111.265 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.448 ' HA3' ' HB1' ' A' ' 21' ' ' ALA . . . 149.2 -14.64 1.12 Allowed Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.96 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.987 HG12 HG23 ' A' ' 16' ' ' VAL . 69.5 t -92.71 118.89 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 O-C-N 121.175 -1.191 . . . . 0.0 111.48 -174.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.687 ' CD2' ' HD1' ' A' ' 2' ' ' TYR . 0.5 OUTLIER -109.33 106.6 16.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.594 0.712 . . . . 0.0 110.796 174.329 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.732 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 99.7 m -93.57 130.45 39.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.228 1.013 . . . . 0.0 111.093 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 -163.41 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.825 0.821 . . . . 0.0 110.975 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.54 -11.18 59.89 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -175.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -146.38 27.97 1.11 Allowed 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.207 -0.933 . . . . 0.0 112.527 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.36 149.9 5.19 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-O 122.134 0.852 . . . . 0.0 111.717 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 95.9 m -86.31 153.22 22.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.125 0.964 . . . . 0.0 110.947 -175.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -139.34 60.88 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.401 1.096 . . . . 0.0 110.656 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.987 HG23 HG12 ' A' ' 7' ' ' VAL . 79.7 t -55.85 102.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.368 -174.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.692 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.64 88.45 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.151 0.976 . . . . 0.0 110.292 173.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.325 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.12 -42.84 11.47 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.692 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.9 mm-40 -60.11 -20.12 56.72 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.769 -0.842 . . . . 0.0 112.765 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' ' HA3' ' A' ' 6' ' ' GLY . . . -76.75 -40.73 47.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.759 0.79 . . . . 0.0 111.068 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.845 ' O ' HG21 ' A' ' 26' ' ' VAL . 11.6 t80 -64.24 -32.74 74.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.85 0.833 . . . . 0.0 110.87 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -70.09 -36.27 74.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.999 0.904 . . . . 0.0 110.967 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.7 88.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.043 0.925 . . . . 0.0 110.928 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.46 70.39 Favored Glycine 0 C--O 1.238 0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.738 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.845 HG21 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -65.79 -54.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.823 1.297 . . . . 0.0 110.696 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -47.1 -43.41 20.38 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.122 174.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -68.56 -37.78 80.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.006 0.907 . . . . 0.0 110.975 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.79 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.64 -38.3 87.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.747 0.784 . . . . 0.0 111.14 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.47 35.62 4.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.003 0.906 . . . . 0.0 111.269 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.047 0.927 . . . . 0.0 110.939 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 tttm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 122.033 0.921 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.4 168.84 19.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.938 0.875 . . . . 0.0 111.007 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.646 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 2.3 m-30 -142.4 -177.55 5.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 110.886 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 2.51 35.19 Favored Glycine 0 C--O 1.243 0.667 0 O-C-N 121.811 -0.556 . . . . 0.0 114.483 -174.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -157.06 55.43 0.52 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.226 -1.161 . . . . 0.0 111.221 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.24 49.41 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.783 0.657 . . . . 0.0 111.856 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 16' ' ' VAL . 22.7 t -101.59 101.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.976 0.893 . . . . 0.0 110.95 174.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.48 124.97 46.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.862 0.839 . . . . 0.0 110.929 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -91.11 134.99 34.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.091 0.948 . . . . 0.0 111.222 -174.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 44.0 p -118.91 34.68 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.752 0.787 . . . . 0.0 111.811 -174.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 59.08 9.66 1.35 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -114.19 -39.47 3.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.886 1.326 . . . . 0.0 111.047 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.21 34.61 0.02 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-O 123.313 1.507 . . . . 0.0 110.632 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER 56.23 155.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 124.091 1.9 . . . . 0.0 112.154 -172.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -147.86 132.5 17.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 7' ' ' VAL . 88.5 t -102.07 148.87 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 122.526 1.155 . . . . 0.0 112.065 -173.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -111.63 108.43 17.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.12 172.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.601 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 60.3 m95 -84.26 30.23 0.54 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.49 -41.04 0.64 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -36.73 84.97 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 111.151 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -36.36 21.03 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.751 ' O ' HG21 ' A' ' 26' ' ' VAL . 4.8 t80 -56.55 -43.09 79.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.163 0.982 . . . . 0.0 110.83 174.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 p -73.89 -37.93 64.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.871 0.843 . . . . 0.0 111.0 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.84 76.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.941 0.877 . . . . 0.0 111.074 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.64 -30.98 55.51 Favored Glycine 0 C--N 1.319 -0.362 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.751 HG21 ' O ' ' A' ' 22' ' ' PHE . 88.6 t -66.4 -57.86 8.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.72 1.248 . . . . 0.0 110.571 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -36.69 27.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.974 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -72.75 -37.3 67.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.037 0.922 . . . . 0.0 110.932 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.741 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.02 -41.63 92.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.836 0.827 . . . . 0.0 110.893 176.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.57 33.39 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.856 0.836 . . . . 0.0 111.26 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 C--N 1.32 -0.694 0 CA-C-O 121.925 0.869 . . . . 0.0 111.072 177.361 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.521 ' HE3' ' HB3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.013 0.911 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.72 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -81.84 173.21 12.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.875 0.845 . . . . 0.0 110.997 177.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -148.52 -178.95 6.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.983 0.897 . . . . 0.0 110.985 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.03 -92.58 0.01 OUTLIER Glycine 0 C--N 1.32 -0.349 0 CA-C-O 123.542 1.634 . . . . 0.0 114.198 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.34 -8.3 5.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.809 -0.818 . . . . 0.0 113.082 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.68 53.1 0.49 Allowed Glycine 0 C--N 1.318 -0.438 0 O-C-N 121.411 -0.805 . . . . 0.0 111.107 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 1.007 HG23 HG21 ' A' ' 16' ' ' VAL . 14.7 t -105.95 135.77 42.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.891 0.853 . . . . 0.0 110.988 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.72 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -123.77 89.44 3.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.832 0.825 . . . . 0.0 110.861 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.8 m -89.04 115.78 26.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.042 0.925 . . . . 0.0 110.963 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -167.36 1.46 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.145 0.974 . . . . 0.0 110.983 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -64.1 -32.58 74.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.639 0.733 . . . . 0.0 111.26 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.2 p -72.23 -14.14 61.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -111.01 0.56 Allowed Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.8 m -137.54 156.77 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.002 0.906 . . . . 0.0 110.889 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.0 70.53 1.24 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.063 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 1.007 HG21 HG23 ' A' ' 7' ' ' VAL . 1.4 p -67.95 148.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.967 0.889 . . . . 0.0 111.091 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -115.59 68.63 0.72 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.467 1.127 . . . . 0.0 110.447 173.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.733 ' NE1' HG12 ' A' ' 16' ' ' VAL . 23.7 m95 -50.0 -21.48 1.24 Allowed 'General case' 0 C--O 1.245 0.841 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.02 -46.09 9.71 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.11 -15.59 57.2 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.808 -0.819 . . . . 0.0 112.518 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.66 23.33 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.862 0.839 . . . . 0.0 111.04 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -41.71 98.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.296 1.046 . . . . 0.0 110.608 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.27 -40.12 93.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.958 0.885 . . . . 0.0 111.043 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.57 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.951 0.881 . . . . 0.0 110.954 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 -32.82 54.89 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -35.22 72.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.844 0.83 . . . . 0.0 110.977 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -64.51 -51.0 65.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.094 0.949 . . . . 0.0 110.545 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -53.18 -35.5 59.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.006 0.908 . . . . 0.0 110.779 174.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.819 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -77.65 -39.76 44.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.851 0.834 . . . . 0.0 110.98 -175.609 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.89 33.44 4.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.875 0.845 . . . . 0.0 111.364 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t30 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 122.005 0.907 . . . . 0.0 111.044 176.413 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.53 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 122.845 1.307 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 t80 72.42 88.95 0.1 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.127 1.441 . . . . 0.0 109.404 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -75.0 -103.95 0.01 OUTLIER 'General case' 0 C--O 1.251 1.166 0 CA-C-N 114.856 -1.065 . . . . 0.0 112.376 -170.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.93 -114.94 0.73 Allowed Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.58 -1.325 . . . . 0.0 111.818 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 43.8 m-20 -71.25 -10.7 60.19 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 122.032 -0.687 . . . . 0.0 112.648 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.77 47.79 0.03 OUTLIER Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.248 -0.908 . . . . 0.0 111.055 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 1.102 HG23 HG23 ' A' ' 16' ' ' VAL . 87.5 t -106.98 92.94 2.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.944 0.878 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 72.7 1.74 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 111.166 -174.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.484 ' O ' HG21 ' A' ' 10' ' ' THR . 10.2 t -70.64 138.14 50.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.087 0.946 . . . . 0.0 110.918 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.505 HG21 ' HD2' ' A' ' 1' ' ' LYS . 9.5 p -159.04 -114.3 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.193 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 26.7 10.26 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 121.387 -0.821 . . . . 0.0 111.642 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -136.41 18.75 3.14 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.391 -0.818 . . . . 0.0 111.795 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.66 139.97 3.5 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 32.2 m -56.3 102.51 0.08 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.826 0.822 . . . . 0.0 110.293 -174.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -101.61 80.6 2.07 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.084 0.945 . . . . 0.0 110.99 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 1.102 HG23 HG23 ' A' ' 7' ' ' VAL . 97.3 t -66.51 100.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.774 0.797 . . . . 0.0 110.858 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -59.22 93.04 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.079 0.942 . . . . 0.0 110.794 176.157 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -59.32 -20.28 53.21 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.58 9.4 Favored Glycine 0 N--CA 1.464 0.534 0 O-C-N 121.45 -0.781 . . . . 0.0 111.332 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.9 mp0 -66.38 -22.55 66.25 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.717 -0.872 . . . . 0.0 112.838 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -80.62 -37.44 31.11 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.129 0.966 . . . . 0.0 110.893 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.889 ' O ' HG21 ' A' ' 26' ' ' VAL . 7.3 t80 -54.84 -54.27 44.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.336 1.065 . . . . 0.0 110.714 174.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -36.84 77.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.919 0.866 . . . . 0.0 110.99 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 21' ' ' ALA . . . -50.6 -49.32 56.8 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.278 1.037 . . . . 0.0 110.911 174.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.727 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -92.99 1.17 70.24 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.309 -0.869 . . . . 0.0 114.049 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.889 HG21 ' O ' ' A' ' 22' ' ' PHE . 58.5 t -71.83 -37.42 61.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 125.24 2.448 . . . . 0.0 106.719 165.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -72.67 -30.15 64.02 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 112.81 -1.995 . . . . 0.0 110.469 170.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.727 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.07 2.04 56.62 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.094 173.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -89.99 -43.75 10.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.105 0.955 . . . . 0.0 110.161 174.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 -90.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.949 0.881 . . . . 0.0 110.174 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 123.381 1.562 . . . . 0.0 111.412 175.606 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 8' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 122.0 0.905 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -145.74 95.52 2.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.74 0.781 . . . . 0.0 111.308 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -57.78 -73.33 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.033 0.92 . . . . 0.0 110.934 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 -112.01 0.64 Allowed Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.97 0.761 . . . . 0.0 111.264 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.645 ' O ' HG21 ' A' ' 7' ' ' VAL . 73.2 m-20 -73.22 91.51 1.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.495 0.664 . . . . 0.0 111.19 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 49.7 25.33 6.71 Favored Glycine 0 C--N 1.319 -0.374 0 CA-C-O 121.689 0.605 . . . . 0.0 111.915 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.987 HG23 HG21 ' A' ' 16' ' ' VAL . 55.8 t -97.33 87.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 121.557 -0.967 . . . . 0.0 110.986 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.496 ' HB3' ' HZ2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -102.61 91.82 4.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.5 0.667 . . . . 0.0 110.527 177.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.38 -176.2 3.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 123.068 1.413 . . . . 0.0 111.989 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.604 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 50.62 79.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.356 175.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -164.61 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.602 1.191 . . . . 0.0 110.791 174.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -119.13 -0.9 10.98 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.419 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.27 104.16 0.36 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.27 130.58 46.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.048 0.928 . . . . 0.0 111.016 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -169.15 136.6 1.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.894 0.855 . . . . 0.0 110.887 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.987 HG21 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -78.57 171.42 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 123.275 1.512 . . . . 0.0 112.034 -174.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -123.83 73.39 1.2 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.898 1.332 . . . . 0.0 109.6 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 26.0 m95 -52.41 -17.81 1.36 Allowed 'General case' 0 C--O 1.247 0.954 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.27 -49.15 9.73 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -14.86 53.38 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.081 -0.658 . . . . 0.0 112.681 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.36 23.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.974 0.892 . . . . 0.0 110.961 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.857 ' O ' HG21 ' A' ' 26' ' ' VAL . 1.7 t80 -67.75 -42.3 82.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.796 0.808 . . . . 0.0 110.686 174.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -63.56 -42.22 98.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.981 0.896 . . . . 0.0 111.065 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.85 74.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.879 0.847 . . . . 0.0 110.927 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.86 -29.75 58.7 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.857 HG21 ' O ' ' A' ' 22' ' ' PHE . 88.5 t -64.86 -54.98 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.878 1.323 . . . . 0.0 110.883 174.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -50.42 -42.45 53.88 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.927 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -71.32 -29.38 64.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.821 0.82 . . . . 0.0 111.089 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.821 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.74 -37.07 83.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 111.05 174.279 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 25.51 3.02 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.759 -0.588 . . . . 0.0 111.979 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 122.347 1.07 . . . . 0.0 110.619 174.466 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.968 0.89 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.425 ' HE1' ' HE2' ' A' ' 8' ' ' HIS . 23.7 t80 -107.29 78.27 1.21 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.571 0.7 . . . . 0.0 110.578 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -46.29 117.44 1.57 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.861 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 5' ' ' ASN . . . -45.91 139.97 6.03 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.7 t-20 89.15 48.21 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.446 1.117 . . . . 0.0 111.122 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.654 ' HA3' ' HB1' ' A' ' 21' ' ' ALA . . . 62.48 18.94 59.48 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 HG23 HG21 ' A' ' 16' ' ' VAL . 16.9 t -99.46 149.63 5.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.203 -1.175 . . . . 0.0 111.271 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.425 ' HE2' ' HE1' ' A' ' 2' ' ' TYR . 0.9 OUTLIER -135.65 92.54 2.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.024 0.916 . . . . 0.0 111.042 175.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.08 158.28 15.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.411 1.101 . . . . 0.0 111.09 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 72.42 46.71 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.857 1.313 . . . . 0.0 110.648 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -149.57 81.91 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.438 1.59 . . . . 0.0 110.065 174.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p 46.6 30.76 1.19 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.262 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.49 134.55 4.58 Favored Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 124.9 10.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 174.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -141.42 121.54 13.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.982 0.896 . . . . 0.0 110.918 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.626 HG12 ' NE1' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -98.14 151.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.492 1.139 . . . . 0.0 111.649 -174.424 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.94 70.9 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.944 0.878 . . . . 0.0 109.958 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.626 ' NE1' HG12 ' A' ' 16' ' ' VAL . 21.8 m95 -48.28 -23.92 1.04 Allowed 'General case' 0 C--O 1.247 0.926 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.651 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -77.61 -55.22 4.3 Favored Glycine 0 N--CA 1.464 0.511 0 CA-C-O 122.374 0.985 . . . . 0.0 110.85 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -58.23 8.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.859 1.79 . . . . 0.0 110.023 -176.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' HA3' ' A' ' 6' ' ' GLY . . . -41.98 -43.83 3.28 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.378 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.651 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 7.7 t80 -52.22 -54.84 25.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.453 1.121 . . . . 0.0 110.784 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -62.76 -33.16 74.59 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 111.011 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.68 55.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.297 1.046 . . . . 0.0 110.915 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.14 -25.14 71.85 Favored Glycine 0 C--O 1.238 0.354 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.625 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -69.56 -44.28 79.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.045 0.926 . . . . 0.0 110.88 174.348 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.01 -39.74 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.686 0.755 . . . . 0.0 111.079 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -81.34 -29.78 34.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.657 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.737 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.2 -64.48 0.9 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.9 . . . . 0.0 110.77 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.59 -55.71 5.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.748 1.261 . . . . 0.0 110.802 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 123.601 1.667 . . . . 0.0 110.594 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.932 0.872 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.594 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 1.3 m-85 -128.96 156.96 42.94 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.812 0.815 . . . . 0.0 111.099 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.594 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.5 m-30 -132.12 27.4 4.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.497 0.665 . . . . 0.0 111.462 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 158.27 0.58 Allowed Glycine 0 C--N 1.32 -0.334 0 CA-C-O 122.191 0.884 . . . . 0.0 111.432 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 m120 57.61 40.32 26.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.977 0.894 . . . . 0.0 111.043 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.28 48.89 71.77 Favored Glycine 0 C--N 1.321 -0.283 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 HG23 ' A' ' 16' ' ' VAL . 55.4 t -111.68 136.06 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.881 0.848 . . . . 0.0 111.027 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.08 128.9 18.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.065 0.936 . . . . 0.0 111.054 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -89.7 99.67 12.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 110.917 -176.638 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.431 HG23 ' H ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -66.86 -166.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.005 0.907 . . . . 0.0 110.934 178.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' H ' HG23 ' A' ' 10' ' ' THR . 11.0 pttt -73.18 -33.15 65.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.672 0.749 . . . . 0.0 111.185 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -105.85 25.86 10.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.691 -0.63 . . . . 0.0 112.252 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.65 19.42 Favored Glycine 0 N--CA 1.462 0.417 0 O-C-N 121.329 -0.857 . . . . 0.0 111.312 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -119.69 135.72 54.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.076 0.941 . . . . 0.0 111.12 -174.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.41 136.96 26.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 -174.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG23 HG23 ' A' ' 7' ' ' VAL . 62.8 t -94.28 111.92 26.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.475 0.655 . . . . 0.0 111.414 -174.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.14 107.19 3.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.769 0.795 . . . . 0.0 110.384 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -82.5 26.43 0.56 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.71 -51.83 0.19 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.54 -17.77 64.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.542 0.686 . . . . 0.0 112.406 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.21 35.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.948 0.88 . . . . 0.0 110.952 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.759 ' O ' HG21 ' A' ' 26' ' ' VAL . 3.0 t80 -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.793 0.806 . . . . 0.0 110.81 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -69.63 -35.22 75.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.981 0.896 . . . . 0.0 111.1 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.957 0.884 . . . . 0.0 111.075 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.39 -28.58 57.54 Favored Glycine 0 C--O 1.238 0.38 0 CA-C-O 121.688 0.604 . . . . 0.0 111.648 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.759 HG21 ' O ' ' A' ' 22' ' ' PHE . 94.2 t -63.49 -55.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.644 1.211 . . . . 0.0 110.612 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -46.86 -47.96 21.17 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.905 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -44.01 84.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.093 0.949 . . . . 0.0 110.863 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.83 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.92 -35.28 76.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.824 0.821 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 35.32 3.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.084 0.945 . . . . 0.0 111.137 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 121.84 0.829 . . . . 0.0 111.107 -177.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.96 0.886 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.737 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 37.5 t80 -138.08 86.43 2.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.677 0.751 . . . . 0.0 111.233 -175.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.738 ' CE1' ' HB2' ' A' ' 9' ' ' CYS . 82.2 m-85 -55.78 145.57 23.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.092 0.948 . . . . 0.0 110.773 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.82 145.38 33.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 122.054 0.808 . . . . 0.0 111.814 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 75.2 46.98 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.04 0.924 . . . . 0.0 111.542 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 58.81 10.99 Favored Glycine 0 C--O 1.238 0.361 0 CA-C-O 121.926 0.737 . . . . 0.0 113.485 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.718 ' CG2' HG21 ' A' ' 16' ' ' VAL . 2.6 t -129.92 130.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.6 -0.941 . . . . 0.0 110.676 173.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.737 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -121.91 109.3 14.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.827 0.822 . . . . 0.0 111.86 175.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.738 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 1.2 m -90.47 91.16 8.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.512 171.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.518 HG21 ' H ' ' A' ' 11' ' ' LYS . 2.4 t -126.11 -112.13 0.29 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -170.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.64 ' HG3' ' H ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -41.05 -61.14 1.04 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.245 1.021 . . . . 0.0 112.929 -170.279 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.64 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 66.2 p 176.62 37.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.089 0.947 . . . . 0.0 111.026 -174.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.9 0.33 Allowed Glycine 0 CA--C 1.522 0.478 0 CA-C-O 122.755 1.197 . . . . 0.0 112.647 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.1 m 45.37 82.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.471 -0.865 . . . . 0.0 110.795 -174.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.1 p -153.08 179.69 8.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.318 1.056 . . . . 0.0 111.711 -173.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.718 HG21 ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -110.88 152.98 12.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.878 1.323 . . . . 0.0 112.755 -174.246 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.08 75.81 1.01 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.992 1.377 . . . . 0.0 109.003 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.583 ' CE2' HG12 ' A' ' 16' ' ' VAL . 24.1 m95 -49.19 -20.5 0.61 Allowed 'General case' 0 C--O 1.248 0.98 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -171.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -53.66 5.76 Favored Glycine 0 C--N 1.317 -0.496 0 CA-C-O 122.327 0.959 . . . . 0.0 110.746 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.32 -20.13 65.9 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.902 -0.764 . . . . 0.0 112.844 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.89 -36.33 31.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.004 0.907 . . . . 0.0 110.625 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.81 -38.45 85.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.965 0.888 . . . . 0.0 110.581 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -62.69 -45.54 92.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.815 0.817 . . . . 0.0 110.961 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -41.57 65.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.995 0.902 . . . . 0.0 110.947 174.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.49 58.63 Favored Glycine 0 C--O 1.238 0.385 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.991 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG13 ' HD1' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -71.41 -35.08 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.178 0.989 . . . . 0.0 110.875 175.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' HD1' HG13 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -64.72 -43.89 91.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.843 174.427 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -72.87 -28.31 62.42 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.646 0.736 . . . . 0.0 111.354 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.809 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.4 -49.22 35.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.879 0.847 . . . . 0.0 111.057 177.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.51 0.87 36.04 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--N 1.319 -0.745 0 O-C-N 121.181 -0.949 . . . . 0.0 110.851 174.603 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 tttt . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.952 0.882 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.513 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -71.81 130.83 42.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.831 0.824 . . . . 0.0 110.947 174.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.621 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 23.1 m-85 -119.49 79.03 1.37 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.692 0.758 . . . . 0.0 111.146 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.91 -114.5 4.22 Favored Glycine 0 C--N 1.319 -0.385 0 CA-C-O 122.045 0.803 . . . . 0.0 111.466 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -61.48 -30.31 70.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.332 1.063 . . . . 0.0 112.577 -175.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.513 ' HA2' ' CE1' ' A' ' 2' ' ' TYR . . . 135.79 41.59 0.13 Allowed Glycine 0 C--O 1.239 0.453 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.542 -176.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.885 HG11 HG23 ' A' ' 16' ' ' VAL . 71.5 t -92.66 68.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.533 1.159 . . . . 0.0 110.062 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -64.54 167.16 7.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 122.141 0.972 . . . . 0.0 111.331 -172.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.27 100.66 3.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.98 0.895 . . . . 0.0 110.741 174.391 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -91.11 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 123.107 1.432 . . . . 0.0 110.67 -175.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.618 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -161.94 -41.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.547 1.165 . . . . 0.0 110.487 -174.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.618 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 88.5 p -77.63 -4.25 45.04 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.276 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.15 157.3 7.26 Favored Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -63.04 156.37 24.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.982 0.896 . . . . 0.0 111.017 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -154.55 79.28 1.09 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.051 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.885 HG23 HG11 ' A' ' 7' ' ' VAL . 41.9 t -62.31 150.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 122.114 0.959 . . . . 0.0 111.135 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.6 t-20 -116.82 90.15 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.994 0.902 . . . . 0.0 110.692 174.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -68.43 -2.28 8.27 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 -41.28 2.53 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.195 -0.941 . . . . 0.0 111.087 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.0 mt-10 -65.14 -16.18 63.22 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.009 -0.701 . . . . 0.0 112.81 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.44 -36.6 20.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.034 0.921 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.871 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.65 -49.87 74.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.19 0.995 . . . . 0.0 110.714 174.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -38.11 86.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.819 0.819 . . . . 0.0 111.167 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.471 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . . . -52.13 -48.88 64.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.529 1.157 . . . . 0.0 110.948 176.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.4 -21.07 76.11 Favored Glycine 0 C--O 1.24 0.494 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.42 -176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.871 HG21 ' O ' ' A' ' 22' ' ' PHE . 94.7 t -66.72 -58.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 174.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 24' ' ' ALA . 3.8 p-80 -61.6 -26.95 68.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.382 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -33.2 62.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.542 1.163 . . . . 0.0 110.263 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.854 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.91 -39.18 91.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.902 0.858 . . . . 0.0 110.74 174.068 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.05 29.92 2.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.435 0.636 . . . . 0.0 111.668 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.1 t30 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 122.003 0.906 . . . . 0.0 110.873 174.742 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.009 0.909 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.666 ' HE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -92.99 152.24 19.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 174.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -124.9 -78.43 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.611 0.719 . . . . 0.0 111.302 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.66 -146.28 17.24 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.085 0.825 . . . . 0.0 111.866 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -16.87 61.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.798 -0.825 . . . . 0.0 112.779 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.666 ' HA2' ' HE1' ' A' ' 2' ' ' TYR . . . 174.25 40.68 0.05 OUTLIER Glycine 0 C--N 1.319 -0.411 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -175.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.939 HG23 HG23 ' A' ' 16' ' ' VAL . 54.4 t -109.37 147.56 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.922 0.867 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.7 79.17 1.88 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.076 0.941 . . . . 0.0 110.916 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -98.89 130.74 45.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.291 1.043 . . . . 0.0 111.004 -179.344 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.92 -84.3 0.66 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.046 1.403 . . . . 0.0 110.623 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 -37.86 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.754 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.9 p -122.61 30.6 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.668 0.747 . . . . 0.0 111.199 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.07 -97.04 0.37 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-O 122.914 1.285 . . . . 0.0 110.709 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.1 m 62.2 98.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.998 1.38 . . . . 0.0 111.688 174.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 p -166.07 129.9 2.15 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.755 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.939 HG23 HG23 ' A' ' 7' ' ' VAL . 36.1 t -93.71 116.73 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.866 0.841 . . . . 0.0 111.6 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.623 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -78.85 84.66 4.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.164 0.983 . . . . 0.0 110.265 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -49.41 -25.67 2.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.15 -41.8 6.12 Favored Glycine 0 N--CA 1.464 0.517 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -69.03 -9.09 50.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.678 -0.895 . . . . 0.0 112.709 174.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.924 0.868 . . . . 0.0 110.944 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.846 ' O ' HG21 ' A' ' 26' ' ' VAL . 14.2 t80 -68.78 -35.09 76.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.981 0.896 . . . . 0.0 110.977 174.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -69.62 -35.8 75.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.854 0.835 . . . . 0.0 111.008 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.58 98.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.074 0.94 . . . . 0.0 110.973 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -28.77 67.44 Favored Glycine 0 C--O 1.238 0.383 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.846 HG21 ' O ' ' A' ' 22' ' ' PHE . 86.6 t -66.53 -54.78 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 122.874 1.321 . . . . 0.0 110.482 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -45.62 -44.3 13.01 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.487 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -78.03 -34.05 50.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.02 0.914 . . . . 0.0 111.15 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.809 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -49.86 76.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.854 0.835 . . . . 0.0 110.913 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.81 29.31 3.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.529 0.68 . . . . 0.0 111.471 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 122.109 0.957 . . . . 0.0 110.748 174.687 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.698 ' HD2' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.941 0.877 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.698 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 24.8 t80 -99.76 104.05 15.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.983 0.897 . . . . 0.0 111.122 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.772 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 62.7 m-85 -78.4 177.9 8.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.94 0.876 . . . . 0.0 110.957 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 161.31 37.39 Favored Glycine 0 C--N 1.32 -0.347 0 CA-C-O 122.133 0.852 . . . . 0.0 111.524 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.76 47.6 3.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.973 0.892 . . . . 0.0 111.155 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 52.81 39.49 Favored Glycine 0 C--N 1.32 -0.341 0 CA-C-O 121.806 0.67 . . . . 0.0 112.138 174.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 16' ' ' VAL . 11.3 t -119.36 144.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.77 -0.841 . . . . 0.0 110.753 174.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -136.92 94.66 2.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.079 0.942 . . . . 0.0 111.467 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.772 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . 3.9 m -90.97 156.76 17.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 0.0 110.853 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.19 153.72 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.838 0.828 . . . . 0.0 110.778 -174.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.33 90.34 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.11 0.957 . . . . 0.0 110.568 -174.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p 79.24 0.42 2.32 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 124.632 1.173 . . . . 0.0 112.417 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.91 172.78 39.16 Favored Glycine 0 C--N 1.318 -0.424 0 O-C-N 120.93 -1.107 . . . . 0.0 111.532 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 42.9 m -72.04 135.34 46.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.651 0.738 . . . . 0.0 110.999 -177.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.75 138.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.057 0.932 . . . . 0.0 111.235 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 7' ' ' VAL . 93.3 t -96.79 135.88 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.951 0.881 . . . . 0.0 110.966 -175.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -66.98 -18.95 65.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.737 ' H ' HG13 ' A' ' 16' ' ' VAL . 83.5 m95 27.09 44.51 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 124.977 1.311 . . . . 0.0 112.928 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -51.01 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.42 -20.05 66.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.352 1.073 . . . . 0.0 112.019 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -72.19 -47.95 46.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.104 0.954 . . . . 0.0 110.798 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.53 -46.51 63.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.076 0.941 . . . . 0.0 110.895 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.489 ' O ' HG13 ' A' ' 26' ' ' VAL . 11.1 t -71.03 -29.29 65.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.82 0.819 . . . . 0.0 111.187 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 21' ' ' ALA . . . -61.09 -41.16 96.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.026 0.917 . . . . 0.0 110.92 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.56 -41.08 21.11 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -56.2 -45.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 122.027 0.917 . . . . 0.0 110.979 174.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -55.64 -49.48 72.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.961 0.886 . . . . 0.0 110.983 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.23 -37.22 69.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.988 0.899 . . . . 0.0 110.913 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.828 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.94 -36.24 80.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.898 0.856 . . . . 0.0 110.912 177.247 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.86 61.66 0.73 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.756 1.265 . . . . 0.0 110.974 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 . . . . . 0 CA--C 1.51 -0.577 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 175.536 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.699 ' HG3' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.014 0.911 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.676 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 2.7 t80 -71.2 157.57 37.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.675 0.75 . . . . 0.0 111.056 -175.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.699 ' HE1' ' HG3' ' A' ' 1' ' ' LYS . 6.5 m-30 -133.94 63.58 1.62 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.063 0.935 . . . . 0.0 111.512 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.424 ' O ' ' HE2' ' A' ' 2' ' ' TYR . . . 70.59 -112.35 4.24 Favored Glycine 0 CA--C 1.508 -0.353 0 CA-C-O 122.417 1.009 . . . . 0.0 113.787 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.752 ' ND2' ' HB3' ' A' ' 21' ' ' ALA . 60.6 t30 -50.45 -26.53 5.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -173.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.517 ' HA2' ' CZ ' ' A' ' 2' ' ' TYR . . . 129.9 66.9 0.11 Allowed Glycine 0 C--N 1.319 -0.365 0 CA-C-O 122.237 0.91 . . . . 0.0 111.036 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.977 HG23 ' CG2' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -125.62 94.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 122.715 1.245 . . . . 0.0 110.478 176.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.481 ' HE2' ' HE1' ' A' ' 2' ' ' TYR . 1.9 m80 -92.99 83.94 4.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.093 -174.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.708 ' SG ' HG11 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -109.77 139.95 44.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.894 0.854 . . . . 0.0 110.834 174.393 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 3.0 p -122.55 24.59 9.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.369 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' THR . 1.4 tttp 93.53 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.625 1.57 . . . . 0.0 111.885 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -76.33 -8.31 56.84 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.853 -174.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.64 112.37 0.26 Allowed Glycine 0 C--N 1.319 -0.407 0 O-C-N 121.205 -0.934 . . . . 0.0 111.079 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 41.3 t -92.39 148.77 21.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.71 0.766 . . . . 0.0 110.852 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -144.77 71.92 1.32 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.145 0.974 . . . . 0.0 110.935 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.977 ' CG2' HG23 ' A' ' 7' ' ' VAL . 57.4 t -58.47 124.62 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.864 0.84 . . . . 0.0 110.956 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -82.95 81.36 8.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.181 0.991 . . . . 0.0 110.647 174.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -61.29 -15.34 34.43 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.48 -48.8 3.87 Favored Glycine 0 N--CA 1.464 0.513 0 O-C-N 121.31 -0.869 . . . . 0.0 111.454 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -14.16 40.88 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.666 -0.902 . . . . 0.0 112.897 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.752 ' HB3' ' ND2' ' A' ' 5' ' ' ASN . . . -81.91 -43.45 18.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.845 0.831 . . . . 0.0 111.07 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -60.92 -42.13 97.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.967 0.889 . . . . 0.0 110.867 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -69.27 -34.81 75.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.997 0.903 . . . . 0.0 111.052 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.68 87.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.987 0.899 . . . . 0.0 111.008 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.95 -37.15 16.67 Favored Glycine 0 C--N 1.32 -0.322 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.57 -34.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.982 0.896 . . . . 0.0 110.871 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.57 -55.33 28.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.957 0.884 . . . . 0.0 110.817 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -55.47 -34.64 64.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.007 0.908 . . . . 0.0 110.979 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.801 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.95 -40.95 64.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.882 . . . . 0.0 111.015 -178.696 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.82 33.69 3.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.711 0.767 . . . . 0.0 111.545 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.972 0.892 . . . . 0.0 110.896 174.755 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.007 0.908 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.748 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 4.8 t80 -73.08 172.78 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.909 0.862 . . . . 0.0 111.053 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.451 ' HB2' HG11 ' A' ' 7' ' ' VAL . 11.8 m-85 -148.85 175.73 11.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.893 0.854 . . . . 0.0 110.939 175.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 150.58 41.79 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-O 122.049 0.805 . . . . 0.0 111.22 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 70.39 37.31 1.56 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.861 0.839 . . . . 0.0 110.927 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.28 43.29 64.52 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.897 0.721 . . . . 0.0 111.439 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.923 ' CG2' HG23 ' A' ' 16' ' ' VAL . 1.5 t -100.55 151.4 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.996 0.903 . . . . 0.0 110.999 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.748 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -148.22 98.15 2.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.803 0.811 . . . . 0.0 111.063 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 7.0 m -86.79 137.7 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.712 0.768 . . . . 0.0 110.679 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 11' ' ' LYS . 18.7 m -147.66 -101.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.133 0.492 . . . . 0.0 111.865 -173.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -45.1 -54.19 7.06 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.258 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.1 p -173.54 76.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.18 -0.95 . . . . 0.0 111.241 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.59 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 126.51 -146.12 16.12 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -174.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 83.7 m -137.69 147.11 44.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.203 1.002 . . . . 0.0 111.241 -177.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.1 94.14 3.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.991 0.9 . . . . 0.0 110.786 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.923 HG23 ' CG2' ' A' ' 7' ' ' VAL . 9.0 t -76.63 126.9 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 111.832 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -84.82 93.39 8.48 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.018 0.913 . . . . 0.0 110.225 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -70.39 2.27 4.06 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.44 -34.96 5.12 Favored Glycine 0 C--N 1.318 -0.469 0 O-C-N 121.063 -1.023 . . . . 0.0 111.512 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -75.83 -22.41 56.3 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.618 -0.931 . . . . 0.0 112.638 177.036 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -74.7 -36.82 62.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.522 1.153 . . . . 0.0 110.126 173.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -54.34 -64.61 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.315 1.055 . . . . 0.0 110.422 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -56.13 -34.27 65.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.349 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 20' ' ' GLU . . . -50.46 -64.31 0.85 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.323 1.058 . . . . 0.0 110.873 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.723 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -87.85 -1.38 82.63 Favored Glycine 0 C--O 1.242 0.631 0 O-C-N 121.458 -0.776 . . . . 0.0 113.905 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -28.83 29.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 123.262 1.506 . . . . 0.0 107.615 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -81.91 -25.93 34.53 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.202 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.723 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -75.35 -28.26 59.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.704 0.764 . . . . 0.0 110.127 172.245 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.823 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -76.64 -44.82 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.026 0.917 . . . . 0.0 110.756 176.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 35.62 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.017 0.913 . . . . 0.0 111.123 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 122.075 0.94 . . . . 0.0 110.963 174.921 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 122.18 0.99 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.5 t80 65.03 146.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.391 1.091 . . . . 0.0 110.961 -174.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 20.1 m-85 -145.51 172.22 13.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.808 0.813 . . . . 0.0 110.873 -175.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 1.68 18.99 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.307 0.883 . . . . 0.0 115.307 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.24 38.22 3.66 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.3 -1.118 . . . . 0.0 110.743 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.97 36.26 19.98 Favored Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.899 0.722 . . . . 0.0 111.576 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.664 HG23 HG23 ' A' ' 16' ' ' VAL . 9.0 t -95.77 93.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 122.04 0.924 . . . . 0.0 110.916 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -95.04 108.14 20.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.296 1.046 . . . . 0.0 111.251 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 122.57 43.59 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.9 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.17 159.92 41.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.28 1.038 . . . . 0.0 111.888 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 4.4 ptmt 48.61 45.09 21.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.33 1.062 . . . . 0.0 112.097 173.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p 53.97 75.21 0.28 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.147 1.451 . . . . 0.0 110.276 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.73 162.28 10.83 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 157.8 33.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.869 1.319 . . . . 0.0 111.835 -174.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 83.68 1.6 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.144 0.973 . . . . 0.0 110.342 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.664 HG23 HG23 ' A' ' 7' ' ' VAL . 96.8 t -71.7 145.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.698 1.237 . . . . 0.0 112.3 -173.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -95.67 107.75 19.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.133 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -76.12 11.53 1.45 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.56 -46.58 1.64 Allowed Glycine 0 C--N 1.317 -0.513 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -27.17 69.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.374 1.083 . . . . 0.0 112.451 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 -32.86 48.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.068 0.937 . . . . 0.0 110.908 177.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.842 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -56.94 -57.09 14.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.433 1.111 . . . . 0.0 110.64 174.373 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -42.53 88.9 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.761 0.791 . . . . 0.0 111.146 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -52.6 -50.12 63.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.212 1.006 . . . . 0.0 110.887 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.61 -19.85 72.67 Favored Glycine 0 C--O 1.241 0.554 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.766 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.842 HG21 ' O ' ' A' ' 22' ' ' PHE . 85.5 t -68.64 -61.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 122.246 1.022 . . . . 0.0 111.356 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 24' ' ' ALA . 3.4 p-80 -58.84 -26.41 64.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.295 176.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 2.7 ttm180 -72.48 -37.33 68.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.256 1.027 . . . . 0.0 110.31 173.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.784 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -58.42 -37.45 75.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.807 0.813 . . . . 0.0 110.47 174.294 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.7 42.38 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.398 1.094 . . . . 0.0 110.985 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.087 179.233 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.685 0.755 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -91.33 -5.57 54.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HE2' ' HB2' ' A' ' 9' ' ' CYS . 5.4 m-85 51.48 -172.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 122.709 1.242 . . . . 0.0 111.951 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -177.55 22.17 Favored Glycine 0 N--CA 1.46 0.283 0 O-C-N 121.36 -0.837 . . . . 0.0 111.891 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 31.71 61.87 0.28 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 125.609 1.563 . . . . 0.0 113.287 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.05 56.8 14.94 Favored Glycine 0 CA--C 1.509 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.891 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 9' ' ' CYS . 2.4 t -124.28 160.14 29.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 121.736 -0.861 . . . . 0.0 110.564 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.7 m80 -156.01 99.25 1.95 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.589 -0.694 . . . . 0.0 110.69 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 9.8 m -130.33 172.05 12.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.254 1.026 . . . . 0.0 111.223 -176.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.49 40.05 17.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.335 1.064 . . . . 0.0 110.901 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.666 ' HG3' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -132.33 -56.51 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.032 0.92 . . . . 0.0 110.941 174.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.666 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 88.0 p -148.09 33.9 0.82 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.052 0.93 . . . . 0.0 110.823 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.11 126.08 5.6 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 52.2 t -62.19 137.04 58.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.947 0.88 . . . . 0.0 110.953 -177.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.94 110.39 2.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.985 0.898 . . . . 0.0 111.091 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG12 ' NE1' ' A' ' 18' ' ' TRP . 4.5 p -81.45 122.07 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.79 0.805 . . . . 0.0 111.582 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.58 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -91.05 69.88 6.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.464 1.126 . . . . 0.0 109.967 172.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.71 ' NE1' HG12 ' A' ' 16' ' ' VAL . 22.4 m95 -47.4 -23.69 0.65 Allowed 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -174.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.42 -48.65 10.38 Favored Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.58 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mm-40 -54.69 -23.0 15.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 112.813 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.51 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.896 0.855 . . . . 0.0 110.924 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.863 ' O ' HG21 ' A' ' 26' ' ' VAL . 4.7 t80 -62.99 -30.64 71.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.705 0.764 . . . . 0.0 110.929 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -73.0 -34.01 66.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.026 0.917 . . . . 0.0 111.072 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.88 85.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.969 0.89 . . . . 0.0 110.976 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.18 -28.68 65.81 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-O 121.695 0.608 . . . . 0.0 111.623 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.863 HG21 ' O ' ' A' ' 22' ' ' PHE . 80.0 t -66.07 -53.67 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.986 1.374 . . . . 0.0 110.649 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -47.56 -42.61 24.01 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.31 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.98 -38.69 82.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 110.931 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.74 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -59.26 -25.01 63.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.364 0.602 . . . . 0.0 111.547 175.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.13 37.93 1.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.26 1.029 . . . . 0.0 111.248 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.982 0.896 . . . . 0.0 111.024 -178.165 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tttm . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.918 0.866 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.99 93.22 8.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.097 0.951 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -76.68 175.58 9.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.954 0.883 . . . . 0.0 110.958 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 146.77 44.19 Favored Glycine 0 C--N 1.32 -0.329 0 CA-C-O 122.669 1.149 . . . . 0.0 112.522 -174.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 55.23 72.39 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.028 0.918 . . . . 0.0 111.822 174.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 46.07 44.57 14.27 Favored Glycine 0 C--O 1.24 0.493 0 CA-C-N 115.766 -0.652 . . . . 0.0 114.013 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' SG ' ' A' ' 14' ' ' CYS . 40.8 t -112.59 143.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.499 -1.001 . . . . 0.0 110.771 174.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.6 m80 -148.3 97.45 2.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 0.0 111.039 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 3.4 m -94.25 141.54 28.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.932 0.873 . . . . 0.0 110.641 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 2.6 p -130.15 54.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.884 0.85 . . . . 0.0 111.174 -174.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 50.07 28.17 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.461 0.648 . . . . 0.0 111.663 179.407 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 21.83 2.28 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.471 -0.768 . . . . 0.0 111.654 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 115.38 -107.49 1.75 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 1.0 OUTLIER 179.95 154.94 0.57 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.283 1.04 . . . . 0.0 111.139 174.156 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.6 66.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.93 0.871 . . . . 0.0 110.544 -175.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.684 HG12 ' NE1' ' A' ' 18' ' ' TRP . 9.6 p -52.4 122.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.022 0.915 . . . . 0.0 111.756 -174.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 6.4 t-20 -91.09 70.37 6.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.321 1.058 . . . . 0.0 109.912 172.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.684 ' NE1' HG12 ' A' ' 16' ' ' VAL . 22.3 m95 -50.74 -19.92 1.1 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.81 18.7 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 174.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -59.34 -15.38 16.0 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.084 -0.657 . . . . 0.0 112.677 173.16 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -35.58 29.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.913 0.864 . . . . 0.0 111.238 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.685 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -71.03 -34.68 71.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.124 0.964 . . . . 0.0 110.863 175.504 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.36 -31.23 62.32 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.058 0.932 . . . . 0.0 110.909 174.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -66.64 -32.48 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.987 0.898 . . . . 0.0 110.919 174.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.1 -32.16 53.32 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 22' ' ' PHE . 91.2 t -63.77 -58.42 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.798 1.285 . . . . 0.0 110.625 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -48.51 -42.32 32.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.179 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -73.42 -30.68 63.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.945 0.879 . . . . 0.0 110.974 179.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.842 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.766 0.793 . . . . 0.0 110.766 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.35 -99.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.497 0.665 . . . . 0.0 110.458 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 123.79 1.757 . . . . 0.0 110.709 176.12 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.558 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 121.883 0.849 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.65 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 24.9 t80 -75.72 168.14 20.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.977 0.894 . . . . 0.0 110.941 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.771 ' HB2' HG13 ' A' ' 7' ' ' VAL . 30.6 m-85 -145.96 -169.18 3.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.276 0.56 . . . . 0.0 110.768 -174.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.45 -169.47 0.1 OUTLIER Glycine 0 C--N 1.32 -0.328 0 CA-C-O 123.05 1.361 . . . . 0.0 113.01 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.657 ' CG ' ' HB3' ' A' ' 24' ' ' ALA . 29.9 m120 -46.68 125.44 7.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.262 1.029 . . . . 0.0 112.813 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.641 ' O ' HG11 ' A' ' 16' ' ' VAL . . . 47.43 41.05 16.72 Favored Glycine 0 C--O 1.241 0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.669 173.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.83 HG23 HG23 ' A' ' 16' ' ' VAL . 7.0 t -128.65 126.4 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 O-C-N 121.463 -1.022 . . . . 0.0 111.393 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.65 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -147.78 100.51 3.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.83 0.824 . . . . 0.0 111.336 179.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.552 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . 8.6 m -99.14 121.16 40.64 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.1 66.27 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.907 1.337 . . . . 0.0 112.147 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -176.66 29.77 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.712 1.72 . . . . 0.0 111.528 173.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p 59.72 51.42 6.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.701 1.715 . . . . 0.0 109.622 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.56 125.31 0.97 Allowed Glycine 0 N--CA 1.46 0.271 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 58.8 m -64.44 173.25 2.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.895 1.331 . . . . 0.0 111.826 -173.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.14 48.04 0.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.279 1.037 . . . . 0.0 110.598 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.83 HG23 HG23 ' A' ' 7' ' ' VAL . 26.0 t -52.33 122.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.016 0.912 . . . . 0.0 111.643 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.3 91.25 1.69 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.249 1.023 . . . . 0.0 110.428 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -60.36 -12.93 10.56 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.41 -52.15 4.34 Favored Glycine 0 N--CA 1.464 0.512 0 O-C-N 121.278 -0.889 . . . . 0.0 111.04 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.955 0.883 . . . . 0.0 112.814 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.737 0.779 . . . . 0.0 111.124 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.744 ' O ' HG21 ' A' ' 26' ' ' VAL . 7.0 t80 -69.25 -40.12 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.023 0.916 . . . . 0.0 110.97 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -75.28 -31.19 60.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.973 0.892 . . . . 0.0 110.997 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.657 ' HB3' ' CG ' ' A' ' 5' ' ' ASN . . . -66.61 -39.6 88.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.872 0.844 . . . . 0.0 111.06 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.57 -34.98 59.61 Favored Glycine 0 N--CA 1.462 0.403 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.744 HG21 ' O ' ' A' ' 22' ' ' PHE . 88.9 t -64.74 -55.13 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 123.032 1.396 . . . . 0.0 110.365 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -46.74 -40.78 14.08 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.186 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.68 80.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.976 0.893 . . . . 0.0 110.945 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.818 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.1 -32.37 61.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.766 0.793 . . . . 0.0 110.921 175.553 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.84 56.36 1.85 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.699 1.237 . . . . 0.0 111.224 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -50.3 68.76 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.237 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.95 -96.39 0.11 Allowed Glycine 0 N--CA 1.461 0.323 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.8 15.71 80.69 Favored Glycine 0 N--CA 1.462 0.406 0 O-C-N 121.86 -0.788 . . . . 0.0 113.338 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 t30 48.9 59.86 4.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.526 1.631 . . . . 0.0 110.639 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.78 -154.29 7.32 Favored Glycine 0 N--CA 1.46 0.256 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.208 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.77 27.35 4.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 . . . . . 1 C--O 1.381 7.987 0 CA-C-O 121.934 0.873 . . . . 0.0 111.116 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' HG2' ' HE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.952 0.882 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.453 ' CD1' ' CD2' ' A' ' 8' ' ' HIS . 13.1 m-30 -86.2 156.66 20.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.979 0.895 . . . . 0.0 111.154 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.404 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.1 m-30 -120.14 33.36 5.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.18 0.99 . . . . 0.0 110.774 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 -126.16 5.08 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.28 86.55 5.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.897 0.856 . . . . 0.0 111.015 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.84 49.93 8.85 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.519 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.91 HG23 HG23 ' A' ' 16' ' ' VAL . 96.3 t -101.22 82.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.621 -0.929 . . . . 0.0 110.991 174.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.453 ' CD2' ' CD1' ' A' ' 2' ' ' TYR . 3.1 m80 -90.22 115.4 27.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.092 0.949 . . . . 0.0 111.22 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.9 m -93.48 138.16 32.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.96 0.886 . . . . 0.0 110.879 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -177.19 4.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.068 0.937 . . . . 0.0 111.001 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -30.29 71.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.48 0.657 . . . . 0.0 111.171 174.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -87.11 -8.42 57.03 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.567 -0.708 . . . . 0.0 112.789 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.23 163.97 10.86 Favored Glycine 0 C--N 1.318 -0.471 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -77.9 136.58 38.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.008 0.909 . . . . 0.0 110.971 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 t -151.97 133.5 14.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.963 0.887 . . . . 0.0 110.984 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.91 HG23 HG23 ' A' ' 7' ' ' VAL . 42.5 t -96.9 111.93 27.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.086 0.946 . . . . 0.0 111.073 -174.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -69.16 94.06 0.65 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 0.0 110.982 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -72.76 2.41 6.69 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.44 -53.7 0.98 Allowed Glycine 0 N--CA 1.463 0.435 0 O-C-N 121.092 -1.005 . . . . 0.0 111.307 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.59 -18.64 60.21 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.715 -0.873 . . . . 0.0 112.727 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.05 17.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.825 0.821 . . . . 0.0 110.957 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -59.57 -46.46 88.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.189 0.995 . . . . 0.0 110.799 174.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -42.7 95.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.56 -48.91 57.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.368 1.08 . . . . 0.0 110.757 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -64.93 -47.48 82.21 Favored Glycine 0 N--CA 1.46 0.244 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -61.28 -30.51 48.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.211 -0.582 . . . . 0.0 111.279 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -35.97 82.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.168 0.985 . . . . 0.0 109.543 173.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.572 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 3.7 mtp180 -58.06 -68.3 0.26 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.699 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -50.17 -28.55 7.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.743 0.782 . . . . 0.0 111.687 174.524 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.62 48.66 1.08 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.657 1.218 . . . . 0.0 111.293 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.81 -47.67 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.112 0.958 . . . . 0.0 110.586 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.36 -92.18 2.22 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.18 99.66 0.46 Allowed Glycine 0 C--N 1.32 -0.341 0 CA-C-O 122.417 1.009 . . . . 0.0 112.426 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 t30 37.05 36.85 0.06 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.526 1.155 . . . . 0.0 112.639 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.16 -144.64 18.43 Favored Glycine 0 N--CA 1.46 0.259 0 CA-C-O 122.006 0.781 . . . . 0.0 111.333 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.72 118.3 14.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.844 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 1 C--O 1.38 7.962 0 CA-C-O 121.998 0.904 . . . . 0.0 111.024 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.732 ' HD2' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.463 0 CA-C-O 123.267 1.508 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.687 ' HD1' ' CD2' ' A' ' 8' ' ' HIS . 84.0 t80 -111.54 -3.61 15.07 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.516 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 49.56 24.32 1.12 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.327 -0.858 . . . . 0.0 112.243 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.533 ' HA2' ' CD2' ' A' ' 2' ' ' TYR . . . 18.97 81.92 0.01 OUTLIER Glycine 0 C--N 1.319 -0.408 0 C-N-CA 125.138 1.351 . . . . 0.0 116.376 -174.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.65 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.544 1.164 . . . . 0.0 111.265 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.448 ' HA3' ' HB1' ' A' ' 21' ' ' ALA . . . 149.2 -14.64 1.12 Allowed Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.96 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.987 HG12 HG23 ' A' ' 16' ' ' VAL . 69.5 t -92.71 118.89 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 O-C-N 121.175 -1.191 . . . . 0.0 111.48 -174.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.687 ' CD2' ' HD1' ' A' ' 2' ' ' TYR . 0.5 OUTLIER -109.33 106.6 16.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.594 0.712 . . . . 0.0 110.796 174.329 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.732 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 99.7 m -93.57 130.45 39.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.228 1.013 . . . . 0.0 111.093 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 -163.41 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.825 0.821 . . . . 0.0 110.975 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HG3' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.54 -11.18 59.89 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -175.833 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -146.38 27.97 1.11 Allowed 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.207 -0.933 . . . . 0.0 112.527 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.36 149.9 5.19 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-O 122.134 0.852 . . . . 0.0 111.717 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 95.9 m -86.31 153.22 22.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.125 0.964 . . . . 0.0 110.947 -175.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -139.34 60.88 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.401 1.096 . . . . 0.0 110.656 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.987 HG23 HG12 ' A' ' 7' ' ' VAL . 79.7 t -55.85 102.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.368 -174.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.692 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.64 88.45 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.151 0.976 . . . . 0.0 110.292 173.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.325 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.12 -42.84 11.47 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.692 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.9 mm-40 -60.11 -20.12 56.72 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.769 -0.842 . . . . 0.0 112.765 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' ' HA3' ' A' ' 6' ' ' GLY . . . -76.75 -40.73 47.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.759 0.79 . . . . 0.0 111.068 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.845 ' O ' HG21 ' A' ' 26' ' ' VAL . 11.6 t80 -64.24 -32.74 74.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.85 0.833 . . . . 0.0 110.87 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -70.09 -36.27 74.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.999 0.904 . . . . 0.0 110.967 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.7 88.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.043 0.925 . . . . 0.0 110.928 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.46 70.39 Favored Glycine 0 C--O 1.238 0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.738 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.845 HG21 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -65.79 -54.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.823 1.297 . . . . 0.0 110.696 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -47.1 -43.41 20.38 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.122 174.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -68.56 -37.78 80.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.006 0.907 . . . . 0.0 110.975 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.79 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.64 -38.3 87.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.747 0.784 . . . . 0.0 111.14 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.47 35.62 4.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.003 0.906 . . . . 0.0 111.269 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.49 -32.41 72.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.047 0.927 . . . . 0.0 110.939 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.22 -69.66 1.3 Allowed Glycine 0 C--N 1.321 -0.294 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.16 3.48 37.84 Favored Glycine 0 C--O 1.239 0.42 0 O-C-N 121.761 -0.847 . . . . 0.0 113.651 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -23.15 59.57 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.395 -1.062 . . . . 0.0 112.386 -174.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.89 104.75 0.15 Allowed Glycine 0 C--N 1.319 -0.4 0 CA-C-O 122.124 0.847 . . . . 0.0 112.069 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -141.1 52.38 1.58 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.211 1.005 . . . . 0.0 111.028 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m95 . . . . . 1 C--O 1.381 8.0 0 CA-C-O 121.959 0.885 . . . . 0.0 111.016 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 tttm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 122.033 0.921 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.4 168.84 19.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.938 0.875 . . . . 0.0 111.007 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.646 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 2.3 m-30 -142.4 -177.55 5.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 110.886 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 2.51 35.19 Favored Glycine 0 C--O 1.243 0.667 0 O-C-N 121.811 -0.556 . . . . 0.0 114.483 -174.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -157.06 55.43 0.52 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.226 -1.161 . . . . 0.0 111.221 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.24 49.41 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.783 0.657 . . . . 0.0 111.856 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 16' ' ' VAL . 22.7 t -101.59 101.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.976 0.893 . . . . 0.0 110.95 174.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.48 124.97 46.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.862 0.839 . . . . 0.0 110.929 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -91.11 134.99 34.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.091 0.948 . . . . 0.0 111.222 -174.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 44.0 p -118.91 34.68 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.752 0.787 . . . . 0.0 111.811 -174.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 59.08 9.66 1.35 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -114.19 -39.47 3.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.886 1.326 . . . . 0.0 111.047 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.21 34.61 0.02 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-O 123.313 1.507 . . . . 0.0 110.632 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER 56.23 155.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 124.091 1.9 . . . . 0.0 112.154 -172.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -147.86 132.5 17.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.903 HG23 HG23 ' A' ' 7' ' ' VAL . 88.5 t -102.07 148.87 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 122.526 1.155 . . . . 0.0 112.065 -173.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -111.63 108.43 17.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.12 172.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.601 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 60.3 m95 -84.26 30.23 0.54 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.49 -41.04 0.64 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -36.73 84.97 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 111.151 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -36.36 21.03 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.751 ' O ' HG21 ' A' ' 26' ' ' VAL . 4.8 t80 -56.55 -43.09 79.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.163 0.982 . . . . 0.0 110.83 174.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 p -73.89 -37.93 64.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.871 0.843 . . . . 0.0 111.0 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.84 76.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.941 0.877 . . . . 0.0 111.074 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.64 -30.98 55.51 Favored Glycine 0 C--N 1.319 -0.362 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.751 HG21 ' O ' ' A' ' 22' ' ' PHE . 88.6 t -66.4 -57.86 8.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.72 1.248 . . . . 0.0 110.571 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -36.69 27.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.974 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -72.75 -37.3 67.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.037 0.922 . . . . 0.0 110.932 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.741 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.02 -41.63 92.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.836 0.827 . . . . 0.0 110.893 176.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.57 33.39 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.856 0.836 . . . . 0.0 111.26 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -97.32 -48.04 5.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.925 0.869 . . . . 0.0 111.072 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.81 63.07 0.16 Allowed Glycine 0 C--N 1.32 -0.357 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 101.35 0.16 Allowed Glycine 0 C--N 1.319 -0.382 0 CA-C-O 123.02 1.345 . . . . 0.0 111.179 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -168.23 -59.83 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 122.133 0.968 . . . . 0.0 111.23 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.92 58.66 0.89 Allowed Glycine 0 C--N 1.321 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.012 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CE2' ' CE3' ' A' ' 37' ' ' TRP . 11.0 t80 60.66 131.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 124.203 1.954 . . . . 0.0 112.841 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CE3' ' CE2' ' A' ' 36' ' ' PHE . 16.8 m0 . . . . . 1 C--O 1.38 7.929 0 O-C-N 120.439 -1.413 . . . . 0.0 110.973 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.521 ' HE3' ' HB3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.013 0.911 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.72 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -81.84 173.21 12.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.875 0.845 . . . . 0.0 110.997 177.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -148.52 -178.95 6.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.983 0.897 . . . . 0.0 110.985 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.03 -92.58 0.01 OUTLIER Glycine 0 C--N 1.32 -0.349 0 CA-C-O 123.542 1.634 . . . . 0.0 114.198 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.34 -8.3 5.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.809 -0.818 . . . . 0.0 113.082 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.68 53.1 0.49 Allowed Glycine 0 C--N 1.318 -0.438 0 O-C-N 121.411 -0.805 . . . . 0.0 111.107 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 1.007 HG23 HG21 ' A' ' 16' ' ' VAL . 14.7 t -105.95 135.77 42.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.891 0.853 . . . . 0.0 110.988 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.72 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -123.77 89.44 3.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.832 0.825 . . . . 0.0 110.861 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.8 m -89.04 115.78 26.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.042 0.925 . . . . 0.0 110.963 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -167.36 1.46 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.145 0.974 . . . . 0.0 110.983 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -64.1 -32.58 74.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.639 0.733 . . . . 0.0 111.26 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.2 p -72.23 -14.14 61.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -111.01 0.56 Allowed Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.8 m -137.54 156.77 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.002 0.906 . . . . 0.0 110.889 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.0 70.53 1.24 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.063 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 1.007 HG21 HG23 ' A' ' 7' ' ' VAL . 1.4 p -67.95 148.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.967 0.889 . . . . 0.0 111.091 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -115.59 68.63 0.72 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.467 1.127 . . . . 0.0 110.447 173.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.733 ' NE1' HG12 ' A' ' 16' ' ' VAL . 23.7 m95 -50.0 -21.48 1.24 Allowed 'General case' 0 C--O 1.245 0.841 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.02 -46.09 9.71 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.11 -15.59 57.2 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.808 -0.819 . . . . 0.0 112.518 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.66 23.33 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.862 0.839 . . . . 0.0 111.04 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -41.71 98.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.296 1.046 . . . . 0.0 110.608 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.27 -40.12 93.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.958 0.885 . . . . 0.0 111.043 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.57 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.951 0.881 . . . . 0.0 110.954 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 -32.82 54.89 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -35.22 72.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.844 0.83 . . . . 0.0 110.977 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -64.51 -51.0 65.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.094 0.949 . . . . 0.0 110.545 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -53.18 -35.5 59.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.006 0.908 . . . . 0.0 110.779 174.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.819 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -77.65 -39.76 44.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.851 0.834 . . . . 0.0 110.98 -175.609 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.89 33.44 4.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.875 0.845 . . . . 0.0 111.364 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -86.62 -58.2 2.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.005 0.907 . . . . 0.0 111.044 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.4 -63.07 0.8 Allowed Glycine 0 C--N 1.32 -0.337 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.27 -103.09 0.53 Allowed Glycine 0 C--N 1.32 -0.322 0 CA-C-O 122.732 1.185 . . . . 0.0 110.78 -175.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -131.88 -47.07 0.94 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.958 0.885 . . . . 0.0 110.995 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -128.01 2.07 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.21 166.97 21.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.751 0.786 . . . . 0.0 110.912 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 . . . . . 1 C--O 1.381 8.023 0 CA-C-O 121.811 0.815 . . . . 0.0 110.758 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.53 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 122.845 1.307 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 t80 72.42 88.95 0.1 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.127 1.441 . . . . 0.0 109.404 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -75.0 -103.95 0.01 OUTLIER 'General case' 0 C--O 1.251 1.166 0 CA-C-N 114.856 -1.065 . . . . 0.0 112.376 -170.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.93 -114.94 0.73 Allowed Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.58 -1.325 . . . . 0.0 111.818 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.432 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 43.8 m-20 -71.25 -10.7 60.19 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 122.032 -0.687 . . . . 0.0 112.648 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.77 47.79 0.03 OUTLIER Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.248 -0.908 . . . . 0.0 111.055 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 1.102 HG23 HG23 ' A' ' 16' ' ' VAL . 87.5 t -106.98 92.94 2.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.944 0.878 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 72.7 1.74 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 111.166 -174.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.484 ' O ' HG21 ' A' ' 10' ' ' THR . 10.2 t -70.64 138.14 50.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.087 0.946 . . . . 0.0 110.918 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.505 HG21 ' HD2' ' A' ' 1' ' ' LYS . 9.5 p -159.04 -114.3 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.193 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 26.7 10.26 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 121.387 -0.821 . . . . 0.0 111.642 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -136.41 18.75 3.14 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.391 -0.818 . . . . 0.0 111.795 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.66 139.97 3.5 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 32.2 m -56.3 102.51 0.08 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.826 0.822 . . . . 0.0 110.293 -174.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -101.61 80.6 2.07 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.084 0.945 . . . . 0.0 110.99 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 1.102 HG23 HG23 ' A' ' 7' ' ' VAL . 97.3 t -66.51 100.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.774 0.797 . . . . 0.0 110.858 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -59.22 93.04 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.079 0.942 . . . . 0.0 110.794 176.157 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -59.32 -20.28 53.21 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.58 9.4 Favored Glycine 0 N--CA 1.464 0.534 0 O-C-N 121.45 -0.781 . . . . 0.0 111.332 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.9 mp0 -66.38 -22.55 66.25 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.717 -0.872 . . . . 0.0 112.838 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -80.62 -37.44 31.11 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.129 0.966 . . . . 0.0 110.893 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.889 ' O ' HG21 ' A' ' 26' ' ' VAL . 7.3 t80 -54.84 -54.27 44.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.336 1.065 . . . . 0.0 110.714 174.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -36.84 77.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.919 0.866 . . . . 0.0 110.99 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 21' ' ' ALA . . . -50.6 -49.32 56.8 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.278 1.037 . . . . 0.0 110.911 174.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.727 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -92.99 1.17 70.24 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.309 -0.869 . . . . 0.0 114.049 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.889 HG21 ' O ' ' A' ' 22' ' ' PHE . 58.5 t -71.83 -37.42 61.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 125.24 2.448 . . . . 0.0 106.719 165.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -72.67 -30.15 64.02 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 112.81 -1.995 . . . . 0.0 110.469 170.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.727 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.07 2.04 56.62 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.094 173.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -89.99 -43.75 10.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.105 0.955 . . . . 0.0 110.161 174.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 -90.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.949 0.881 . . . . 0.0 110.174 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 41.72 48.71 3.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.381 1.562 . . . . 0.0 111.412 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.71 39.84 2.64 Favored Glycine 0 CA--C 1.51 -0.23 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.508 -174.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.66 0.19 12.24 Favored Glycine 0 C--O 1.243 0.659 0 O-C-N 122.035 -0.685 . . . . 0.0 113.374 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.69 -58.95 3.77 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.19 -1.183 . . . . 0.0 111.33 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.52 -147.45 11.0 Favored Glycine 0 N--CA 1.461 0.354 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.75 130.82 33.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.101 0.953 . . . . 0.0 110.97 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 t90 . . . . . 1 C--O 1.38 7.966 0 CA-C-O 121.999 0.904 . . . . 0.0 110.978 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 8' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 122.0 0.905 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -145.74 95.52 2.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.74 0.781 . . . . 0.0 111.308 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -57.78 -73.33 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.033 0.92 . . . . 0.0 110.934 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 -112.01 0.64 Allowed Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.97 0.761 . . . . 0.0 111.264 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.645 ' O ' HG21 ' A' ' 7' ' ' VAL . 73.2 m-20 -73.22 91.51 1.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.495 0.664 . . . . 0.0 111.19 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 49.7 25.33 6.71 Favored Glycine 0 C--N 1.319 -0.374 0 CA-C-O 121.689 0.605 . . . . 0.0 111.915 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.987 HG23 HG21 ' A' ' 16' ' ' VAL . 55.8 t -97.33 87.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 121.557 -0.967 . . . . 0.0 110.986 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.496 ' HB3' ' HZ2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER -102.61 91.82 4.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.5 0.667 . . . . 0.0 110.527 177.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.38 -176.2 3.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 123.068 1.413 . . . . 0.0 111.989 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.604 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 50.62 79.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.356 175.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -164.61 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.602 1.191 . . . . 0.0 110.791 174.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -119.13 -0.9 10.98 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.419 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.27 104.16 0.36 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.27 130.58 46.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.048 0.928 . . . . 0.0 111.016 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -169.15 136.6 1.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.894 0.855 . . . . 0.0 110.887 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.987 HG21 HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -78.57 171.42 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 123.275 1.512 . . . . 0.0 112.034 -174.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -123.83 73.39 1.2 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.898 1.332 . . . . 0.0 109.6 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 26.0 m95 -52.41 -17.81 1.36 Allowed 'General case' 0 C--O 1.247 0.954 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.27 -49.15 9.73 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -14.86 53.38 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.081 -0.658 . . . . 0.0 112.681 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.36 23.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.974 0.892 . . . . 0.0 110.961 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.857 ' O ' HG21 ' A' ' 26' ' ' VAL . 1.7 t80 -67.75 -42.3 82.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.796 0.808 . . . . 0.0 110.686 174.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -63.56 -42.22 98.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.981 0.896 . . . . 0.0 111.065 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.85 74.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.879 0.847 . . . . 0.0 110.927 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.86 -29.75 58.7 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.857 HG21 ' O ' ' A' ' 22' ' ' PHE . 88.5 t -64.86 -54.98 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.878 1.323 . . . . 0.0 110.883 174.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -50.42 -42.45 53.88 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.927 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -71.32 -29.38 64.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.821 0.82 . . . . 0.0 111.089 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.821 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.74 -37.07 83.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 111.05 174.279 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 25.51 3.02 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.759 -0.588 . . . . 0.0 111.979 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -127.12 31.65 5.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.347 1.07 . . . . 0.0 110.619 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.65 70.84 0.37 Allowed Glycine 0 N--CA 1.46 0.265 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.77 -1.64 82.53 Favored Glycine 0 C--O 1.241 0.56 0 O-C-N 122.187 -0.596 . . . . 0.0 113.644 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t30 50.59 76.71 0.14 Allowed 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.288 -1.124 . . . . 0.0 110.788 -174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.94 154.1 6.1 Favored Glycine 0 N--CA 1.46 0.24 0 CA-C-O 121.973 0.763 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.54 99.14 6.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.901 0.858 . . . . 0.0 110.976 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 p90 . . . . . 1 C--O 1.38 7.959 0 CA-C-O 122.071 0.938 . . . . 0.0 110.95 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.968 0.89 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.425 ' HE1' ' HE2' ' A' ' 8' ' ' HIS . 23.7 t80 -107.29 78.27 1.21 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.571 0.7 . . . . 0.0 110.578 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -46.29 117.44 1.57 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.861 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 5' ' ' ASN . . . -45.91 139.97 6.03 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.7 t-20 89.15 48.21 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.446 1.117 . . . . 0.0 111.122 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.654 ' HA3' ' HB1' ' A' ' 21' ' ' ALA . . . 62.48 18.94 59.48 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 HG23 HG21 ' A' ' 16' ' ' VAL . 16.9 t -99.46 149.63 5.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.203 -1.175 . . . . 0.0 111.271 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.425 ' HE2' ' HE1' ' A' ' 2' ' ' TYR . 0.9 OUTLIER -135.65 92.54 2.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.024 0.916 . . . . 0.0 111.042 175.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.08 158.28 15.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.411 1.101 . . . . 0.0 111.09 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 72.42 46.71 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.857 1.313 . . . . 0.0 110.648 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -149.57 81.91 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.438 1.59 . . . . 0.0 110.065 174.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p 46.6 30.76 1.19 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.262 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.49 134.55 4.58 Favored Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 124.9 10.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 174.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -141.42 121.54 13.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.982 0.896 . . . . 0.0 110.918 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.626 HG12 ' NE1' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -98.14 151.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.492 1.139 . . . . 0.0 111.649 -174.424 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.94 70.9 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.944 0.878 . . . . 0.0 109.958 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.626 ' NE1' HG12 ' A' ' 16' ' ' VAL . 21.8 m95 -48.28 -23.92 1.04 Allowed 'General case' 0 C--O 1.247 0.926 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.651 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -77.61 -55.22 4.3 Favored Glycine 0 N--CA 1.464 0.511 0 CA-C-O 122.374 0.985 . . . . 0.0 110.85 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -58.23 8.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.859 1.79 . . . . 0.0 110.023 -176.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB1' ' HA3' ' A' ' 6' ' ' GLY . . . -41.98 -43.83 3.28 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.378 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.651 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 7.7 t80 -52.22 -54.84 25.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.453 1.121 . . . . 0.0 110.784 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -62.76 -33.16 74.59 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 111.011 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.68 55.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.297 1.046 . . . . 0.0 110.915 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.14 -25.14 71.85 Favored Glycine 0 C--O 1.238 0.354 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.625 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -69.56 -44.28 79.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.045 0.926 . . . . 0.0 110.88 174.348 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.01 -39.74 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.686 0.755 . . . . 0.0 111.079 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -81.34 -29.78 34.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.657 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.737 ' C ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.2 -64.48 0.9 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.9 . . . . 0.0 110.77 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.59 -55.71 5.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.748 1.261 . . . . 0.0 110.802 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 40.89 76.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 123.601 1.667 . . . . 0.0 110.594 -174.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.11 -34.07 88.94 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.701 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.95 104.01 0.54 Allowed Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.65 1.139 . . . . 0.0 110.819 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -97.39 -33.18 11.51 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.933 0.873 . . . . 0.0 110.898 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.73 -145.52 13.32 Favored Glycine 0 C--N 1.32 -0.309 0 CA-C-O 122.193 0.885 . . . . 0.0 111.591 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -99.51 84.44 2.97 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.888 0.851 . . . . 0.0 111.24 -174.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.6 t90 . . . . . 1 C--O 1.38 7.921 0 CA-C-O 122.061 0.934 . . . . 0.0 110.902 -174.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.932 0.872 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.594 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 1.3 m-85 -128.96 156.96 42.94 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.812 0.815 . . . . 0.0 111.099 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.594 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.5 m-30 -132.12 27.4 4.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.497 0.665 . . . . 0.0 111.462 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 158.27 0.58 Allowed Glycine 0 C--N 1.32 -0.334 0 CA-C-O 122.191 0.884 . . . . 0.0 111.432 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 m120 57.61 40.32 26.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.977 0.894 . . . . 0.0 111.043 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.28 48.89 71.77 Favored Glycine 0 C--N 1.321 -0.283 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 HG23 ' A' ' 16' ' ' VAL . 55.4 t -111.68 136.06 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.881 0.848 . . . . 0.0 111.027 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.08 128.9 18.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.065 0.936 . . . . 0.0 111.054 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -89.7 99.67 12.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 110.917 -176.638 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.431 HG23 ' H ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -66.86 -166.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.005 0.907 . . . . 0.0 110.934 178.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' H ' HG23 ' A' ' 10' ' ' THR . 11.0 pttt -73.18 -33.15 65.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.672 0.749 . . . . 0.0 111.185 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -105.85 25.86 10.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.691 -0.63 . . . . 0.0 112.252 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.65 19.42 Favored Glycine 0 N--CA 1.462 0.417 0 O-C-N 121.329 -0.857 . . . . 0.0 111.312 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -119.69 135.72 54.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.076 0.941 . . . . 0.0 111.12 -174.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.41 136.96 26.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 -174.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG23 HG23 ' A' ' 7' ' ' VAL . 62.8 t -94.28 111.92 26.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.475 0.655 . . . . 0.0 111.414 -174.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.14 107.19 3.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.769 0.795 . . . . 0.0 110.384 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -82.5 26.43 0.56 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.71 -51.83 0.19 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.54 -17.77 64.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.542 0.686 . . . . 0.0 112.406 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.21 35.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.948 0.88 . . . . 0.0 110.952 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.759 ' O ' HG21 ' A' ' 26' ' ' VAL . 3.0 t80 -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.793 0.806 . . . . 0.0 110.81 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -69.63 -35.22 75.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.981 0.896 . . . . 0.0 111.1 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.957 0.884 . . . . 0.0 111.075 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.39 -28.58 57.54 Favored Glycine 0 C--O 1.238 0.38 0 CA-C-O 121.688 0.604 . . . . 0.0 111.648 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.759 HG21 ' O ' ' A' ' 22' ' ' PHE . 94.2 t -63.49 -55.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.644 1.211 . . . . 0.0 110.612 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -46.86 -47.96 21.17 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.905 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -44.01 84.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.093 0.949 . . . . 0.0 110.863 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.83 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.92 -35.28 76.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.824 0.821 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 35.32 3.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.084 0.945 . . . . 0.0 111.137 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.29 -35.72 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.84 0.829 . . . . 0.0 111.107 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.8 58.5 0.02 OUTLIER Glycine 0 N--CA 1.461 0.34 0 CA-C-O 122.046 0.803 . . . . 0.0 111.119 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 12.57 1.38 Allowed Glycine 0 C--N 1.32 -0.318 0 O-C-N 122.091 -0.652 . . . . 0.0 113.859 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.33 -67.75 0.47 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.849 0.833 . . . . 0.0 111.301 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.7 130.04 2.15 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.002 0.779 . . . . 0.0 111.184 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -134.05 45.61 2.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.046 0.927 . . . . 0.0 110.888 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--O 1.381 8.003 0 CA-C-O 121.96 0.886 . . . . 0.0 111.08 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.96 0.886 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.737 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 37.5 t80 -138.08 86.43 2.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.677 0.751 . . . . 0.0 111.233 -175.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.738 ' CE1' ' HB2' ' A' ' 9' ' ' CYS . 82.2 m-85 -55.78 145.57 23.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.092 0.948 . . . . 0.0 110.773 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.82 145.38 33.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 122.054 0.808 . . . . 0.0 111.814 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 75.2 46.98 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.04 0.924 . . . . 0.0 111.542 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 58.81 10.99 Favored Glycine 0 C--O 1.238 0.361 0 CA-C-O 121.926 0.737 . . . . 0.0 113.485 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.718 ' CG2' HG21 ' A' ' 16' ' ' VAL . 2.6 t -129.92 130.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.6 -0.941 . . . . 0.0 110.676 173.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.737 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -121.91 109.3 14.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.827 0.822 . . . . 0.0 111.86 175.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.738 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 1.2 m -90.47 91.16 8.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.512 171.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.518 HG21 ' H ' ' A' ' 11' ' ' LYS . 2.4 t -126.11 -112.13 0.29 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -170.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.64 ' HG3' ' H ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -41.05 -61.14 1.04 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.245 1.021 . . . . 0.0 112.929 -170.279 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.64 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 66.2 p 176.62 37.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.089 0.947 . . . . 0.0 111.026 -174.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.9 0.33 Allowed Glycine 0 CA--C 1.522 0.478 0 CA-C-O 122.755 1.197 . . . . 0.0 112.647 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.1 m 45.37 82.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.471 -0.865 . . . . 0.0 110.795 -174.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.1 p -153.08 179.69 8.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.318 1.056 . . . . 0.0 111.711 -173.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.718 HG21 ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -110.88 152.98 12.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.878 1.323 . . . . 0.0 112.755 -174.246 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.08 75.81 1.01 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.992 1.377 . . . . 0.0 109.003 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.583 ' CE2' HG12 ' A' ' 16' ' ' VAL . 24.1 m95 -49.19 -20.5 0.61 Allowed 'General case' 0 C--O 1.248 0.98 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -171.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -53.66 5.76 Favored Glycine 0 C--N 1.317 -0.496 0 CA-C-O 122.327 0.959 . . . . 0.0 110.746 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.32 -20.13 65.9 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.902 -0.764 . . . . 0.0 112.844 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.89 -36.33 31.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.004 0.907 . . . . 0.0 110.625 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.81 -38.45 85.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.965 0.888 . . . . 0.0 110.581 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -62.69 -45.54 92.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.815 0.817 . . . . 0.0 110.961 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -41.57 65.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.995 0.902 . . . . 0.0 110.947 174.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.49 58.63 Favored Glycine 0 C--O 1.238 0.385 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.991 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG13 ' HD1' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -71.41 -35.08 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.178 0.989 . . . . 0.0 110.875 175.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' HD1' HG13 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -64.72 -43.89 91.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.843 174.427 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -72.87 -28.31 62.42 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.646 0.736 . . . . 0.0 111.354 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.809 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.4 -49.22 35.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.879 0.847 . . . . 0.0 111.057 177.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.51 0.87 36.04 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -54.15 -53.38 54.13 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.181 -0.949 . . . . 0.0 110.851 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.37 67.28 1.87 Allowed Glycine 0 C--N 1.321 -0.271 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.75 -102.49 0.64 Allowed Glycine 0 C--N 1.319 -0.369 0 CA-C-O 122.909 1.283 . . . . 0.0 110.642 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -41.68 19.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.034 0.921 . . . . 0.0 111.354 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.44 -119.45 4.29 Favored Glycine 0 C--N 1.32 -0.345 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -76.38 -7.25 54.62 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.767 -0.843 . . . . 0.0 112.707 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.423 ' HA ' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER . . . . . 1 C--O 1.382 8.028 0 CA-C-O 121.855 0.836 . . . . 0.0 111.471 -178.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 tttt . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.952 0.882 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.513 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -71.81 130.83 42.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.831 0.824 . . . . 0.0 110.947 174.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.621 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 23.1 m-85 -119.49 79.03 1.37 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.692 0.758 . . . . 0.0 111.146 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.91 -114.5 4.22 Favored Glycine 0 C--N 1.319 -0.385 0 CA-C-O 122.045 0.803 . . . . 0.0 111.466 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -61.48 -30.31 70.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.332 1.063 . . . . 0.0 112.577 -175.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.513 ' HA2' ' CE1' ' A' ' 2' ' ' TYR . . . 135.79 41.59 0.13 Allowed Glycine 0 C--O 1.239 0.453 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.542 -176.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.885 HG11 HG23 ' A' ' 16' ' ' VAL . 71.5 t -92.66 68.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.533 1.159 . . . . 0.0 110.062 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -64.54 167.16 7.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 122.141 0.972 . . . . 0.0 111.331 -172.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.27 100.66 3.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.98 0.895 . . . . 0.0 110.741 174.391 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -91.11 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 123.107 1.432 . . . . 0.0 110.67 -175.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.618 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -161.94 -41.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.547 1.165 . . . . 0.0 110.487 -174.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.618 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 88.5 p -77.63 -4.25 45.04 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.276 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.15 157.3 7.26 Favored Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -63.04 156.37 24.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.982 0.896 . . . . 0.0 111.017 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -154.55 79.28 1.09 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.051 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.885 HG23 HG11 ' A' ' 7' ' ' VAL . 41.9 t -62.31 150.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 122.114 0.959 . . . . 0.0 111.135 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.6 t-20 -116.82 90.15 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.994 0.902 . . . . 0.0 110.692 174.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -68.43 -2.28 8.27 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 -41.28 2.53 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.195 -0.941 . . . . 0.0 111.087 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.0 mt-10 -65.14 -16.18 63.22 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.009 -0.701 . . . . 0.0 112.81 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.44 -36.6 20.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.034 0.921 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.871 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.65 -49.87 74.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.19 0.995 . . . . 0.0 110.714 174.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -38.11 86.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.819 0.819 . . . . 0.0 111.167 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . . . -52.13 -48.88 64.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.529 1.157 . . . . 0.0 110.948 176.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.4 -21.07 76.11 Favored Glycine 0 C--O 1.24 0.494 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.42 -176.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.871 HG21 ' O ' ' A' ' 22' ' ' PHE . 94.7 t -66.72 -58.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 174.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 24' ' ' ALA . 3.8 p-80 -61.6 -26.95 68.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.382 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -33.2 62.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.542 1.163 . . . . 0.0 110.263 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.854 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.91 -39.18 91.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.902 0.858 . . . . 0.0 110.74 174.068 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.05 29.92 2.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.435 0.636 . . . . 0.0 111.668 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -139.7 60.23 1.57 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.003 0.906 . . . . 0.0 110.873 174.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.41 -85.99 0.04 OUTLIER Glycine 0 N--CA 1.461 0.342 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.27 -104.56 1.71 Allowed Glycine 0 C--N 1.32 -0.346 0 CA-C-O 122.962 1.312 . . . . 0.0 110.408 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.9 33.97 1.27 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 123.922 0.889 . . . . 0.0 111.912 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.27 173.08 51.6 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-O 122.031 0.795 . . . . 0.0 111.376 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -140.28 159.13 42.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.94 0.876 . . . . 0.0 111.023 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.7 t90 . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.093 0.949 . . . . 0.0 110.965 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.009 0.909 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.666 ' HE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -92.99 152.24 19.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 174.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -124.9 -78.43 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.611 0.719 . . . . 0.0 111.302 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.66 -146.28 17.24 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.085 0.825 . . . . 0.0 111.866 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -16.87 61.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.798 -0.825 . . . . 0.0 112.779 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.666 ' HA2' ' HE1' ' A' ' 2' ' ' TYR . . . 174.25 40.68 0.05 OUTLIER Glycine 0 C--N 1.319 -0.411 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -175.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.939 HG23 HG23 ' A' ' 16' ' ' VAL . 54.4 t -109.37 147.56 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.922 0.867 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.7 79.17 1.88 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.076 0.941 . . . . 0.0 110.916 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -98.89 130.74 45.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.291 1.043 . . . . 0.0 111.004 -179.344 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.92 -84.3 0.66 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.046 1.403 . . . . 0.0 110.623 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 -37.86 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.754 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.9 p -122.61 30.6 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.668 0.747 . . . . 0.0 111.199 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.07 -97.04 0.37 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-O 122.914 1.285 . . . . 0.0 110.709 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.1 m 62.2 98.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.998 1.38 . . . . 0.0 111.688 174.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 p -166.07 129.9 2.15 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.755 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.939 HG23 HG23 ' A' ' 7' ' ' VAL . 36.1 t -93.71 116.73 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.866 0.841 . . . . 0.0 111.6 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.623 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -78.85 84.66 4.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.164 0.983 . . . . 0.0 110.265 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -49.41 -25.67 2.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.15 -41.8 6.12 Favored Glycine 0 N--CA 1.464 0.517 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -69.03 -9.09 50.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.678 -0.895 . . . . 0.0 112.709 174.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.924 0.868 . . . . 0.0 110.944 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.846 ' O ' HG21 ' A' ' 26' ' ' VAL . 14.2 t80 -68.78 -35.09 76.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.981 0.896 . . . . 0.0 110.977 174.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -69.62 -35.8 75.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.854 0.835 . . . . 0.0 111.008 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.58 98.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.074 0.94 . . . . 0.0 110.973 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -28.77 67.44 Favored Glycine 0 C--O 1.238 0.383 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.846 HG21 ' O ' ' A' ' 22' ' ' PHE . 86.6 t -66.53 -54.78 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 122.874 1.321 . . . . 0.0 110.482 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -45.62 -44.3 13.01 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.487 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -78.03 -34.05 50.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.02 0.914 . . . . 0.0 111.15 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.809 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -49.86 76.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.854 0.835 . . . . 0.0 110.913 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.81 29.31 3.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.529 0.68 . . . . 0.0 111.471 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -80.66 -31.94 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.109 0.957 . . . . 0.0 110.748 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.06 -41.26 2.28 Favored Glycine 0 CA--C 1.509 -0.322 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.94 22.91 77.23 Favored Glycine 0 N--CA 1.464 0.515 0 O-C-N 121.733 -0.863 . . . . 0.0 113.15 -174.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -49.2 -27.17 3.4 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.535 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.07 158.43 10.1 Favored Glycine 0 C--N 1.32 -0.322 0 CA-C-O 122.2 0.889 . . . . 0.0 111.58 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.35 82.94 3.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.911 0.863 . . . . 0.0 110.944 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 1 C--O 1.38 7.953 0 CA-C-O 122.327 1.061 . . . . 0.0 110.99 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.698 ' HD2' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.941 0.877 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.698 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 24.8 t80 -99.76 104.05 15.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.983 0.897 . . . . 0.0 111.122 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.772 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 62.7 m-85 -78.4 177.9 8.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.94 0.876 . . . . 0.0 110.957 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 161.31 37.39 Favored Glycine 0 C--N 1.32 -0.347 0 CA-C-O 122.133 0.852 . . . . 0.0 111.524 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.76 47.6 3.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.973 0.892 . . . . 0.0 111.155 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 52.81 39.49 Favored Glycine 0 C--N 1.32 -0.341 0 CA-C-O 121.806 0.67 . . . . 0.0 112.138 174.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 16' ' ' VAL . 11.3 t -119.36 144.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.77 -0.841 . . . . 0.0 110.753 174.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -136.92 94.66 2.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.079 0.942 . . . . 0.0 111.467 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.772 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . 3.9 m -90.97 156.76 17.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 0.0 110.853 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.19 153.72 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.838 0.828 . . . . 0.0 110.778 -174.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.33 90.34 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.11 0.957 . . . . 0.0 110.568 -174.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p 79.24 0.42 2.32 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 124.632 1.173 . . . . 0.0 112.417 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.91 172.78 39.16 Favored Glycine 0 C--N 1.318 -0.424 0 O-C-N 120.93 -1.107 . . . . 0.0 111.532 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 42.9 m -72.04 135.34 46.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.651 0.738 . . . . 0.0 110.999 -177.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.75 138.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.057 0.932 . . . . 0.0 111.235 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 7' ' ' VAL . 93.3 t -96.79 135.88 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.951 0.881 . . . . 0.0 110.966 -175.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -66.98 -18.95 65.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.737 ' H ' HG13 ' A' ' 16' ' ' VAL . 83.5 m95 27.09 44.51 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 124.977 1.311 . . . . 0.0 112.928 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -51.01 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.42 -20.05 66.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.352 1.073 . . . . 0.0 112.019 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -72.19 -47.95 46.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.104 0.954 . . . . 0.0 110.798 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.53 -46.51 63.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.076 0.941 . . . . 0.0 110.895 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.489 ' O ' HG13 ' A' ' 26' ' ' VAL . 11.1 t -71.03 -29.29 65.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.82 0.819 . . . . 0.0 111.187 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 21' ' ' ALA . . . -61.09 -41.16 96.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.026 0.917 . . . . 0.0 110.92 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.56 -41.08 21.11 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -56.2 -45.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 122.027 0.917 . . . . 0.0 110.979 174.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -55.64 -49.48 72.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.961 0.886 . . . . 0.0 110.983 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.23 -37.22 69.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.988 0.899 . . . . 0.0 110.913 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.828 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.94 -36.24 80.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.898 0.856 . . . . 0.0 110.912 177.247 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.86 61.66 0.73 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.756 1.265 . . . . 0.0 110.974 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -130.13 67.23 1.47 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.01 -34.03 57.76 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.67 10.41 57.89 Favored Glycine 0 N--CA 1.46 0.275 0 O-C-N 121.606 -0.938 . . . . 0.0 113.539 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.31 3.51 12.86 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 121.767 -0.843 . . . . 0.0 112.968 -173.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.96 -162.04 23.51 Favored Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.098 -1.001 . . . . 0.0 111.936 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.6 29.1 3.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.858 0.837 . . . . 0.0 110.854 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.2 t90 . . . . . 1 C--O 1.381 7.979 0 CA-C-O 121.922 0.868 . . . . 0.0 111.138 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.699 ' HG3' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.014 0.911 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.676 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 2.7 t80 -71.2 157.57 37.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.675 0.75 . . . . 0.0 111.056 -175.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.699 ' HE1' ' HG3' ' A' ' 1' ' ' LYS . 6.5 m-30 -133.94 63.58 1.62 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.063 0.935 . . . . 0.0 111.512 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' O ' ' HE2' ' A' ' 2' ' ' TYR . . . 70.59 -112.35 4.24 Favored Glycine 0 CA--C 1.508 -0.353 0 CA-C-O 122.417 1.009 . . . . 0.0 113.787 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.752 ' ND2' ' HB3' ' A' ' 21' ' ' ALA . 60.6 t30 -50.45 -26.53 5.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -173.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.517 ' HA2' ' CZ ' ' A' ' 2' ' ' TYR . . . 129.9 66.9 0.11 Allowed Glycine 0 C--N 1.319 -0.365 0 CA-C-O 122.237 0.91 . . . . 0.0 111.036 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.977 HG23 ' CG2' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -125.62 94.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 122.715 1.245 . . . . 0.0 110.478 176.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.481 ' HE2' ' HE1' ' A' ' 2' ' ' TYR . 1.9 m80 -92.99 83.94 4.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.093 -174.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.708 ' SG ' HG11 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -109.77 139.95 44.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.894 0.854 . . . . 0.0 110.834 174.393 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 3.0 p -122.55 24.59 9.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.369 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' THR . 1.4 tttp 93.53 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.625 1.57 . . . . 0.0 111.885 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -76.33 -8.31 56.84 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.853 -174.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.64 112.37 0.26 Allowed Glycine 0 C--N 1.319 -0.407 0 O-C-N 121.205 -0.934 . . . . 0.0 111.079 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 41.3 t -92.39 148.77 21.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.71 0.766 . . . . 0.0 110.852 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -144.77 71.92 1.32 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.145 0.974 . . . . 0.0 110.935 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.977 ' CG2' HG23 ' A' ' 7' ' ' VAL . 57.4 t -58.47 124.62 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.864 0.84 . . . . 0.0 110.956 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -82.95 81.36 8.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.181 0.991 . . . . 0.0 110.647 174.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -61.29 -15.34 34.43 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.48 -48.8 3.87 Favored Glycine 0 N--CA 1.464 0.513 0 O-C-N 121.31 -0.869 . . . . 0.0 111.454 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -14.16 40.88 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.666 -0.902 . . . . 0.0 112.897 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.752 ' HB3' ' ND2' ' A' ' 5' ' ' ASN . . . -81.91 -43.45 18.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.845 0.831 . . . . 0.0 111.07 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -60.92 -42.13 97.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.967 0.889 . . . . 0.0 110.867 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -69.27 -34.81 75.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.997 0.903 . . . . 0.0 111.052 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.68 87.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.987 0.899 . . . . 0.0 111.008 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.95 -37.15 16.67 Favored Glycine 0 C--N 1.32 -0.322 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.57 -34.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.982 0.896 . . . . 0.0 110.871 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.57 -55.33 28.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.957 0.884 . . . . 0.0 110.817 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -55.47 -34.64 64.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.007 0.908 . . . . 0.0 110.979 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.801 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.95 -40.95 64.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.882 . . . . 0.0 111.015 -178.696 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.82 33.69 3.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.711 0.767 . . . . 0.0 111.545 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.03 -43.89 5.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.972 0.892 . . . . 0.0 110.896 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.52 45.15 55.48 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 1.61 88.46 Favored Glycine 0 C--O 1.242 0.651 0 O-C-N 121.965 -0.726 . . . . 0.0 113.733 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -94.4 -35.46 12.34 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.267 -1.137 . . . . 0.0 111.091 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.14 -112.17 3.1 Favored Glycine 0 CA--C 1.509 -0.295 0 CA-C-O 121.966 0.759 . . . . 0.0 111.846 -174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.77 143.53 31.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.832 -0.805 . . . . 0.0 111.088 -174.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.3 t90 . . . . . 1 C--O 1.38 7.937 0 CA-C-O 121.946 0.879 . . . . 0.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.007 0.908 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.748 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 4.8 t80 -73.08 172.78 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.909 0.862 . . . . 0.0 111.053 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.451 ' HB2' HG11 ' A' ' 7' ' ' VAL . 11.8 m-85 -148.85 175.73 11.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.893 0.854 . . . . 0.0 110.939 175.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 150.58 41.79 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-O 122.049 0.805 . . . . 0.0 111.22 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 70.39 37.31 1.56 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.861 0.839 . . . . 0.0 110.927 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.28 43.29 64.52 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.897 0.721 . . . . 0.0 111.439 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.923 ' CG2' HG23 ' A' ' 16' ' ' VAL . 1.5 t -100.55 151.4 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.996 0.903 . . . . 0.0 110.999 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.748 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -148.22 98.15 2.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.803 0.811 . . . . 0.0 111.063 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 7.0 m -86.79 137.7 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.712 0.768 . . . . 0.0 110.679 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 11' ' ' LYS . 18.7 m -147.66 -101.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.133 0.492 . . . . 0.0 111.865 -173.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -45.1 -54.19 7.06 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.258 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.1 p -173.54 76.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.18 -0.95 . . . . 0.0 111.241 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.59 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 126.51 -146.12 16.12 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -174.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 83.7 m -137.69 147.11 44.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.203 1.002 . . . . 0.0 111.241 -177.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.1 94.14 3.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.991 0.9 . . . . 0.0 110.786 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.923 HG23 ' CG2' ' A' ' 7' ' ' VAL . 9.0 t -76.63 126.9 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 111.832 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -84.82 93.39 8.48 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.018 0.913 . . . . 0.0 110.225 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -70.39 2.27 4.06 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.44 -34.96 5.12 Favored Glycine 0 C--N 1.318 -0.469 0 O-C-N 121.063 -1.023 . . . . 0.0 111.512 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -75.83 -22.41 56.3 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.618 -0.931 . . . . 0.0 112.638 177.036 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . -74.7 -36.82 62.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.522 1.153 . . . . 0.0 110.126 173.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -54.34 -64.61 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.315 1.055 . . . . 0.0 110.422 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -56.13 -34.27 65.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.349 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 20' ' ' GLU . . . -50.46 -64.31 0.85 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.323 1.058 . . . . 0.0 110.873 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.723 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -87.85 -1.38 82.63 Favored Glycine 0 C--O 1.242 0.631 0 O-C-N 121.458 -0.776 . . . . 0.0 113.905 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -28.83 29.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 123.262 1.506 . . . . 0.0 107.615 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -81.91 -25.93 34.53 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.202 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.723 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -75.35 -28.26 59.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.704 0.764 . . . . 0.0 110.127 172.245 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.823 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -76.64 -44.82 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.026 0.917 . . . . 0.0 110.756 176.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 35.62 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.017 0.913 . . . . 0.0 111.123 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.45 -71.04 0.45 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.075 0.94 . . . . 0.0 110.963 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.31 81.92 0.33 Allowed Glycine 0 C--N 1.32 -0.332 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -174.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.07 87.52 0.11 Allowed Glycine 0 C--N 1.32 -0.326 0 CA-C-O 123.141 1.412 . . . . 0.0 110.553 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.75 -32.12 22.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.325 -0.937 . . . . 0.0 111.079 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.31 -47.41 43.02 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.93 147.19 12.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.911 0.862 . . . . 0.0 110.834 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 1 C--O 1.38 7.94 0 CA-C-O 121.998 0.904 . . . . 0.0 110.855 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 122.18 0.99 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.5 t80 65.03 146.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.391 1.091 . . . . 0.0 110.961 -174.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 20.1 m-85 -145.51 172.22 13.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.808 0.813 . . . . 0.0 110.873 -175.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 1.68 18.99 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.307 0.883 . . . . 0.0 115.307 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.24 38.22 3.66 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.3 -1.118 . . . . 0.0 110.743 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.97 36.26 19.98 Favored Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.899 0.722 . . . . 0.0 111.576 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.664 HG23 HG23 ' A' ' 16' ' ' VAL . 9.0 t -95.77 93.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 122.04 0.924 . . . . 0.0 110.916 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -95.04 108.14 20.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.296 1.046 . . . . 0.0 111.251 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 122.57 43.59 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.9 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.17 159.92 41.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.28 1.038 . . . . 0.0 111.888 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 4.4 ptmt 48.61 45.09 21.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.33 1.062 . . . . 0.0 112.097 173.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p 53.97 75.21 0.28 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.147 1.451 . . . . 0.0 110.276 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.73 162.28 10.83 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 157.8 33.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.869 1.319 . . . . 0.0 111.835 -174.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 83.68 1.6 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.144 0.973 . . . . 0.0 110.342 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.664 HG23 HG23 ' A' ' 7' ' ' VAL . 96.8 t -71.7 145.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.698 1.237 . . . . 0.0 112.3 -173.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -95.67 107.75 19.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.133 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -76.12 11.53 1.45 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.56 -46.58 1.64 Allowed Glycine 0 C--N 1.317 -0.513 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -27.17 69.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.374 1.083 . . . . 0.0 112.451 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 -32.86 48.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.068 0.937 . . . . 0.0 110.908 177.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.842 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -56.94 -57.09 14.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.433 1.111 . . . . 0.0 110.64 174.373 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -42.53 88.9 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.761 0.791 . . . . 0.0 111.146 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -52.6 -50.12 63.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.212 1.006 . . . . 0.0 110.887 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.61 -19.85 72.67 Favored Glycine 0 C--O 1.241 0.554 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.766 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.842 HG21 ' O ' ' A' ' 22' ' ' PHE . 85.5 t -68.64 -61.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 122.246 1.022 . . . . 0.0 111.356 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.528 ' CE1' ' HA ' ' A' ' 24' ' ' ALA . 3.4 p-80 -58.84 -26.41 64.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.295 176.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.556 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 2.7 ttm180 -72.48 -37.33 68.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.256 1.027 . . . . 0.0 110.31 173.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.784 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -58.42 -37.45 75.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.807 0.813 . . . . 0.0 110.47 174.294 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.7 42.38 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.398 1.094 . . . . 0.0 110.985 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -80.69 -43.93 19.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.087 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.53 -38.55 51.62 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.91 104.96 2.95 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.629 1.127 . . . . 0.0 110.878 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -118.58 -40.79 2.86 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.936 0.874 . . . . 0.0 111.042 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.0 106.98 0.65 Allowed Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -90.55 161.63 15.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.972 0.891 . . . . 0.0 111.054 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 C--O 1.382 8.046 0 CA-C-O 121.788 0.804 . . . . 0.0 111.187 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.685 0.755 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -91.33 -5.57 54.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HE2' ' HB2' ' A' ' 9' ' ' CYS . 5.4 m-85 51.48 -172.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 122.709 1.242 . . . . 0.0 111.951 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -177.55 22.17 Favored Glycine 0 N--CA 1.46 0.283 0 O-C-N 121.36 -0.837 . . . . 0.0 111.891 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 31.71 61.87 0.28 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 125.609 1.563 . . . . 0.0 113.287 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.05 56.8 14.94 Favored Glycine 0 CA--C 1.509 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.891 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 9' ' ' CYS . 2.4 t -124.28 160.14 29.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 121.736 -0.861 . . . . 0.0 110.564 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.7 m80 -156.01 99.25 1.95 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.589 -0.694 . . . . 0.0 110.69 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.54 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 9.8 m -130.33 172.05 12.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.254 1.026 . . . . 0.0 111.223 -176.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.49 40.05 17.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.335 1.064 . . . . 0.0 110.901 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.666 ' HG3' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -132.33 -56.51 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.032 0.92 . . . . 0.0 110.941 174.714 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.666 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 88.0 p -148.09 33.9 0.82 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.052 0.93 . . . . 0.0 110.823 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.11 126.08 5.6 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 52.2 t -62.19 137.04 58.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.947 0.88 . . . . 0.0 110.953 -177.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.94 110.39 2.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.985 0.898 . . . . 0.0 111.091 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG12 ' NE1' ' A' ' 18' ' ' TRP . 4.5 p -81.45 122.07 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.79 0.805 . . . . 0.0 111.582 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.58 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -91.05 69.88 6.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.464 1.126 . . . . 0.0 109.967 172.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.71 ' NE1' HG12 ' A' ' 16' ' ' VAL . 22.4 m95 -47.4 -23.69 0.65 Allowed 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -174.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.42 -48.65 10.38 Favored Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.58 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mm-40 -54.69 -23.0 15.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 112.813 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.51 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.896 0.855 . . . . 0.0 110.924 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.863 ' O ' HG21 ' A' ' 26' ' ' VAL . 4.7 t80 -62.99 -30.64 71.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.705 0.764 . . . . 0.0 110.929 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -73.0 -34.01 66.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.026 0.917 . . . . 0.0 111.072 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.88 85.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.969 0.89 . . . . 0.0 110.976 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.18 -28.68 65.81 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-O 121.695 0.608 . . . . 0.0 111.623 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.863 HG21 ' O ' ' A' ' 22' ' ' PHE . 80.0 t -66.07 -53.67 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.986 1.374 . . . . 0.0 110.649 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -47.56 -42.61 24.01 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.31 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.98 -38.69 82.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 110.931 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.74 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -59.26 -25.01 63.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.364 0.602 . . . . 0.0 111.547 175.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.13 37.93 1.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.26 1.029 . . . . 0.0 111.248 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -132.5 -67.58 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.982 0.896 . . . . 0.0 111.024 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.37 -51.42 1.13 Allowed Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.44 22.13 52.04 Favored Glycine 0 N--CA 1.464 0.525 0 CA-C-O 122.164 0.869 . . . . 0.0 112.931 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 48.39 69.26 0.57 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.718 1.247 . . . . 0.0 110.288 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.79 -88.8 0.01 OUTLIER Glycine 0 CA--C 1.508 -0.404 0 CA-C-N 115.191 -0.913 . . . . 0.0 114.705 -173.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -132.01 2.98 4.02 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.523 -0.987 . . . . 0.0 113.136 -174.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 1 C--O 1.379 7.904 0 CA-C-O 122.148 0.975 . . . . 0.0 110.542 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tttm . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.918 0.866 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.99 93.22 8.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.097 0.951 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -76.68 175.58 9.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.954 0.883 . . . . 0.0 110.958 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 146.77 44.19 Favored Glycine 0 C--N 1.32 -0.329 0 CA-C-O 122.669 1.149 . . . . 0.0 112.522 -174.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 55.23 72.39 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.028 0.918 . . . . 0.0 111.822 174.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 46.07 44.57 14.27 Favored Glycine 0 C--O 1.24 0.493 0 CA-C-N 115.766 -0.652 . . . . 0.0 114.013 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' SG ' ' A' ' 14' ' ' CYS . 40.8 t -112.59 143.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.499 -1.001 . . . . 0.0 110.771 174.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.6 m80 -148.3 97.45 2.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 0.0 111.039 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 3.4 m -94.25 141.54 28.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.932 0.873 . . . . 0.0 110.641 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 2.6 p -130.15 54.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.884 0.85 . . . . 0.0 111.174 -174.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 50.07 28.17 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.461 0.648 . . . . 0.0 111.663 179.407 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 21.83 2.28 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.471 -0.768 . . . . 0.0 111.654 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 115.38 -107.49 1.75 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 1.0 OUTLIER 179.95 154.94 0.57 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.283 1.04 . . . . 0.0 111.139 174.156 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.6 66.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.93 0.871 . . . . 0.0 110.544 -175.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.684 HG12 ' NE1' ' A' ' 18' ' ' TRP . 9.6 p -52.4 122.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.022 0.915 . . . . 0.0 111.756 -174.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 6.4 t-20 -91.09 70.37 6.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.321 1.058 . . . . 0.0 109.912 172.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.684 ' NE1' HG12 ' A' ' 16' ' ' VAL . 22.3 m95 -50.74 -19.92 1.1 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.81 18.7 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 174.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -59.34 -15.38 16.0 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.084 -0.657 . . . . 0.0 112.677 173.16 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -35.58 29.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.913 0.864 . . . . 0.0 111.238 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.685 ' O ' HG21 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -71.03 -34.68 71.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.124 0.964 . . . . 0.0 110.863 175.504 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.36 -31.23 62.32 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.058 0.932 . . . . 0.0 110.909 174.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -66.64 -32.48 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.987 0.898 . . . . 0.0 110.919 174.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.1 -32.16 53.32 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 22' ' ' PHE . 91.2 t -63.77 -58.42 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.798 1.285 . . . . 0.0 110.625 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -48.51 -42.32 32.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.179 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -73.42 -30.68 63.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.945 0.879 . . . . 0.0 110.974 179.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.842 ' O ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.766 0.793 . . . . 0.0 110.766 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.35 -99.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.497 0.665 . . . . 0.0 110.458 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 52.16 34.18 13.83 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.79 1.757 . . . . 0.0 110.709 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.02 82.74 0.66 Allowed Glycine 0 N--CA 1.46 0.273 0 O-C-N 121.051 -1.031 . . . . 0.0 110.95 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.67 103.28 1.05 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-O 122.618 1.121 . . . . 0.0 110.813 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' ND2' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -120.35 36.52 4.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.046 0.927 . . . . 0.0 110.92 -175.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.02 -100.35 0.74 Allowed Glycine 0 C--N 1.32 -0.334 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.8 t80 32.13 70.6 0.09 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.606 1.163 . . . . 0.0 112.942 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--O 1.38 7.951 0 CA-C-O 122.102 0.953 . . . . 0.0 111.115 -174.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.539 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 121.883 0.849 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.649 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 24.9 t80 -75.72 168.14 20.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.977 0.894 . . . . 0.0 110.941 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.738 ' HB2' HG12 ' A' ' 7' ' ' VAL . 30.6 m-85 -145.96 -169.18 3.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.276 0.56 . . . . 0.0 110.768 -174.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.45 -169.47 0.1 OUTLIER Glycine 0 C--N 1.32 -0.328 0 CA-C-O 123.05 1.361 . . . . 0.0 113.01 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.616 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 29.9 m120 -46.68 125.44 7.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.262 1.029 . . . . 0.0 112.813 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.598 ' O ' HG13 ' A' ' 16' ' ' VAL . . . 47.43 41.05 16.72 Favored Glycine 0 C--O 1.241 0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.669 173.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.84 HG22 HG22 ' A' ' 16' ' ' VAL . 7.0 t -128.65 126.4 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 O-C-N 121.463 -1.022 . . . . 0.0 111.393 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.649 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -147.78 100.51 3.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.83 0.824 . . . . 0.0 111.336 179.449 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . 8.6 m -99.14 121.16 40.64 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.1 66.27 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.907 1.337 . . . . 0.0 112.147 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -176.66 29.77 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.712 1.72 . . . . 0.0 111.528 173.344 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p 59.72 51.42 6.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.701 1.715 . . . . 0.0 109.622 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.56 125.31 0.97 Allowed Glycine 0 N--CA 1.46 0.271 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.44 173.25 2.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.895 1.331 . . . . 0.0 111.826 -173.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.14 48.04 0.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.279 1.037 . . . . 0.0 110.598 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.84 HG22 HG22 ' A' ' 7' ' ' VAL . 26.0 t -52.33 122.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.016 0.912 . . . . 0.0 111.643 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.3 91.25 1.69 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.249 1.023 . . . . 0.0 110.428 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -60.36 -12.93 10.56 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.41 -52.15 4.34 Favored Glycine 0 N--CA 1.464 0.512 0 O-C-N 121.278 -0.889 . . . . 0.0 111.04 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.955 0.883 . . . . 0.0 112.814 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.737 0.779 . . . . 0.0 111.124 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.796 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.0 t80 -69.25 -40.12 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.023 0.916 . . . . 0.0 110.97 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -75.28 -31.19 60.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.973 0.892 . . . . 0.0 110.997 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.616 ' HB1' ' CG ' ' A' ' 5' ' ' ASN . . . -66.61 -39.6 88.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.872 0.844 . . . . 0.0 111.06 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.57 -34.98 59.61 Favored Glycine 0 N--CA 1.462 0.403 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.9 t -64.74 -55.13 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 123.032 1.396 . . . . 0.0 110.365 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -46.74 -40.78 14.08 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.186 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.68 80.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.976 0.893 . . . . 0.0 110.945 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.1 -32.37 61.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.766 0.793 . . . . 0.0 110.921 175.553 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.84 56.36 1.85 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.699 1.237 . . . . 0.0 111.224 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.237 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.952 0.882 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.453 ' CD1' ' CD2' ' A' ' 8' ' ' HIS . 13.1 m-30 -86.2 156.66 20.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.979 0.895 . . . . 0.0 111.154 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.404 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.1 m-30 -120.14 33.36 5.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.18 0.99 . . . . 0.0 110.774 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 -126.16 5.08 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.28 86.55 5.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.897 0.856 . . . . 0.0 111.015 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.84 49.93 8.85 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.519 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.871 HG22 HG22 ' A' ' 16' ' ' VAL . 96.3 t -101.22 82.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.621 -0.929 . . . . 0.0 110.991 174.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.453 ' CD2' ' CD1' ' A' ' 2' ' ' TYR . 3.1 m80 -90.22 115.4 27.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.092 0.949 . . . . 0.0 111.22 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.9 m -93.48 138.16 32.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.96 0.886 . . . . 0.0 110.879 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -177.19 4.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.068 0.937 . . . . 0.0 111.001 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -30.29 71.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.48 0.657 . . . . 0.0 111.171 174.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -87.11 -8.42 57.03 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.567 -0.708 . . . . 0.0 112.789 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.23 163.97 10.86 Favored Glycine 0 C--N 1.318 -0.471 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -77.9 136.58 38.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.008 0.909 . . . . 0.0 110.971 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 t -151.97 133.5 14.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.963 0.887 . . . . 0.0 110.984 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.871 HG22 HG22 ' A' ' 7' ' ' VAL . 42.5 t -96.9 111.93 27.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.086 0.946 . . . . 0.0 111.073 -174.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -69.16 94.06 0.65 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 0.0 110.982 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -72.76 2.41 6.69 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.44 -53.7 0.98 Allowed Glycine 0 N--CA 1.463 0.435 0 O-C-N 121.092 -1.005 . . . . 0.0 111.307 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.59 -18.64 60.21 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.715 -0.873 . . . . 0.0 112.727 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.05 17.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.825 0.821 . . . . 0.0 110.957 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -59.57 -46.46 88.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.189 0.995 . . . . 0.0 110.799 174.631 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -42.7 95.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.56 -48.91 57.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.368 1.08 . . . . 0.0 110.757 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -64.93 -47.48 82.21 Favored Glycine 0 N--CA 1.46 0.244 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -61.28 -30.51 48.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.211 -0.582 . . . . 0.0 111.279 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -35.97 82.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.168 0.985 . . . . 0.0 109.543 173.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 3.7 mtp180 -58.06 -68.3 0.26 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.699 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -50.17 -28.55 7.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.743 0.782 . . . . 0.0 111.687 174.524 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.62 48.66 1.08 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.657 1.218 . . . . 0.0 111.293 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 . . . . . 0 C--N 1.322 -0.587 0 CA-C-O 122.112 0.958 . . . . 0.0 110.586 174.419 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.716 ' HD2' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.463 0 CA-C-O 123.267 1.508 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.682 ' HD1' ' CD2' ' A' ' 8' ' ' HIS . 84.0 t80 -111.54 -3.61 15.07 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.516 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 49.56 24.32 1.12 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.327 -0.858 . . . . 0.0 112.243 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.484 ' HA2' ' CD2' ' A' ' 2' ' ' TYR . . . 18.97 81.92 0.01 OUTLIER Glycine 0 C--N 1.319 -0.408 0 C-N-CA 125.138 1.351 . . . . 0.0 116.376 -174.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.65 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.544 1.164 . . . . 0.0 111.265 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . 149.2 -14.64 1.12 Allowed Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.96 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 16' ' ' VAL . 69.5 t -92.71 118.89 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 O-C-N 121.175 -1.191 . . . . 0.0 111.48 -174.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.682 ' CD2' ' HD1' ' A' ' 2' ' ' TYR . 0.5 OUTLIER -109.33 106.6 16.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.594 0.712 . . . . 0.0 110.796 174.329 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.716 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 99.7 m -93.57 130.45 39.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.228 1.013 . . . . 0.0 111.093 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 -163.41 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.825 0.821 . . . . 0.0 110.975 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.54 -11.18 59.89 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -175.833 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -146.38 27.97 1.11 Allowed 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.207 -0.933 . . . . 0.0 112.527 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.36 149.9 5.19 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-O 122.134 0.852 . . . . 0.0 111.717 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 95.9 m -86.31 153.22 22.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.125 0.964 . . . . 0.0 110.947 -175.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -139.34 60.88 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.401 1.096 . . . . 0.0 110.656 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 7' ' ' VAL . 79.7 t -55.85 102.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.368 -174.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.656 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.64 88.45 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.151 0.976 . . . . 0.0 110.292 173.851 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.325 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.12 -42.84 11.47 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.9 mm-40 -60.11 -20.12 56.72 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.769 -0.842 . . . . 0.0 112.765 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . . . -76.75 -40.73 47.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.759 0.79 . . . . 0.0 111.068 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.6 t80 -64.24 -32.74 74.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.85 0.833 . . . . 0.0 110.87 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -70.09 -36.27 74.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.999 0.904 . . . . 0.0 110.967 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.7 88.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.043 0.925 . . . . 0.0 110.928 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.46 70.39 Favored Glycine 0 C--O 1.238 0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.738 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -65.79 -54.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.823 1.297 . . . . 0.0 110.696 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -47.1 -43.41 20.38 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.122 174.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -68.56 -37.78 80.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.006 0.907 . . . . 0.0 110.975 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.64 -38.3 87.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.747 0.784 . . . . 0.0 111.14 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.47 35.62 4.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.003 0.906 . . . . 0.0 111.269 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.047 0.927 . . . . 0.0 110.939 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 tttm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 122.033 0.921 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.4 168.84 19.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.938 0.875 . . . . 0.0 111.007 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.751 ' HD2' HG12 ' A' ' 7' ' ' VAL . 2.3 m-30 -142.4 -177.55 5.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 110.886 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 2.51 35.19 Favored Glycine 0 C--O 1.243 0.667 0 O-C-N 121.811 -0.556 . . . . 0.0 114.483 -174.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -157.06 55.43 0.52 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.226 -1.161 . . . . 0.0 111.221 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.24 49.41 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.783 0.657 . . . . 0.0 111.856 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 16' ' ' VAL . 22.7 t -101.59 101.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.976 0.893 . . . . 0.0 110.95 174.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.48 124.97 46.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.862 0.839 . . . . 0.0 110.929 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -91.11 134.99 34.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.091 0.948 . . . . 0.0 111.222 -174.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 44.0 p -118.91 34.68 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.752 0.787 . . . . 0.0 111.811 -174.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 59.08 9.66 1.35 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.454 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -114.19 -39.47 3.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.886 1.326 . . . . 0.0 111.047 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.21 34.61 0.02 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-O 123.313 1.507 . . . . 0.0 110.632 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER 56.23 155.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 124.091 1.9 . . . . 0.0 112.154 -172.473 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -147.86 132.5 17.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 7' ' ' VAL . 88.5 t -102.07 148.87 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 122.526 1.155 . . . . 0.0 112.065 -173.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -111.63 108.43 17.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.12 172.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.574 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 60.3 m95 -84.26 30.23 0.54 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.49 -41.04 0.64 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -36.73 84.97 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 111.151 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -36.36 21.03 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.8 t80 -56.55 -43.09 79.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.163 0.982 . . . . 0.0 110.83 174.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 p -73.89 -37.93 64.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.871 0.843 . . . . 0.0 111.0 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.84 76.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.941 0.877 . . . . 0.0 111.074 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.64 -30.98 55.51 Favored Glycine 0 C--N 1.319 -0.362 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.6 t -66.4 -57.86 8.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.72 1.248 . . . . 0.0 110.571 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -36.69 27.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.974 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -72.75 -37.3 67.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.037 0.922 . . . . 0.0 110.932 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.733 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.02 -41.63 92.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.836 0.827 . . . . 0.0 110.893 176.726 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.57 33.39 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.856 0.836 . . . . 0.0 111.26 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 C--N 1.32 -0.694 0 CA-C-O 121.925 0.869 . . . . 0.0 111.072 177.361 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.506 ' HB3' ' HE3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.013 0.911 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.715 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -81.84 173.21 12.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.875 0.845 . . . . 0.0 110.997 177.147 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -148.52 -178.95 6.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.983 0.897 . . . . 0.0 110.985 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.03 -92.58 0.01 OUTLIER Glycine 0 C--N 1.32 -0.349 0 CA-C-O 123.542 1.634 . . . . 0.0 114.198 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.34 -8.3 5.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.809 -0.818 . . . . 0.0 113.082 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.68 53.1 0.49 Allowed Glycine 0 C--N 1.318 -0.438 0 O-C-N 121.411 -0.805 . . . . 0.0 111.107 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.99 HG22 HG23 ' A' ' 16' ' ' VAL . 14.7 t -105.95 135.77 42.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.891 0.853 . . . . 0.0 110.988 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.715 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -123.77 89.44 3.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.832 0.825 . . . . 0.0 110.861 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.8 m -89.04 115.78 26.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.042 0.925 . . . . 0.0 110.963 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -167.36 1.46 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.145 0.974 . . . . 0.0 110.983 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -64.1 -32.58 74.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.639 0.733 . . . . 0.0 111.26 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.2 p -72.23 -14.14 61.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -111.01 0.56 Allowed Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.8 m -137.54 156.77 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.002 0.906 . . . . 0.0 110.889 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.0 70.53 1.24 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.063 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.99 HG23 HG22 ' A' ' 7' ' ' VAL . 1.4 p -67.95 148.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.967 0.889 . . . . 0.0 111.091 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -115.59 68.63 0.72 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.467 1.127 . . . . 0.0 110.447 173.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.703 ' NE1' HG11 ' A' ' 16' ' ' VAL . 23.7 m95 -50.0 -21.48 1.24 Allowed 'General case' 0 C--O 1.245 0.841 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.02 -46.09 9.71 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.11 -15.59 57.2 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.808 -0.819 . . . . 0.0 112.518 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.66 23.33 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.862 0.839 . . . . 0.0 111.04 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -41.71 98.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.296 1.046 . . . . 0.0 110.608 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.27 -40.12 93.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.958 0.885 . . . . 0.0 111.043 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.57 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.951 0.881 . . . . 0.0 110.954 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 -32.82 54.89 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -35.22 72.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.844 0.83 . . . . 0.0 110.977 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -64.51 -51.0 65.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.094 0.949 . . . . 0.0 110.545 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -53.18 -35.5 59.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.006 0.908 . . . . 0.0 110.779 174.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -77.65 -39.76 44.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.851 0.834 . . . . 0.0 110.98 -175.609 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.89 33.44 4.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.875 0.845 . . . . 0.0 111.364 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t30 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 122.005 0.907 . . . . 0.0 111.044 176.413 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 122.845 1.307 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 t80 72.42 88.95 0.1 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.127 1.441 . . . . 0.0 109.404 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -75.0 -103.95 0.01 OUTLIER 'General case' 0 C--O 1.251 1.166 0 CA-C-N 114.856 -1.065 . . . . 0.0 112.376 -170.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.93 -114.94 0.73 Allowed Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.58 -1.325 . . . . 0.0 111.818 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 43.8 m-20 -71.25 -10.7 60.19 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 122.032 -0.687 . . . . 0.0 112.648 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.77 47.79 0.03 OUTLIER Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.248 -0.908 . . . . 0.0 111.055 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 16' ' ' VAL . 87.5 t -106.98 92.94 2.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.944 0.878 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 72.7 1.74 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 111.166 -174.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 10' ' ' THR . 10.2 t -70.64 138.14 50.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.087 0.946 . . . . 0.0 110.918 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 9' ' ' CYS . 9.5 p -159.04 -114.3 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.193 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 26.7 10.26 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 121.387 -0.821 . . . . 0.0 111.642 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -136.41 18.75 3.14 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.391 -0.818 . . . . 0.0 111.795 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.66 139.97 3.5 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.2 m -56.3 102.51 0.08 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.826 0.822 . . . . 0.0 110.293 -174.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -101.61 80.6 2.07 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.084 0.945 . . . . 0.0 110.99 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 7' ' ' VAL . 97.3 t -66.51 100.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.774 0.797 . . . . 0.0 110.858 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.465 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -59.22 93.04 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.079 0.942 . . . . 0.0 110.794 176.157 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -59.32 -20.28 53.21 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.58 9.4 Favored Glycine 0 N--CA 1.464 0.534 0 O-C-N 121.45 -0.781 . . . . 0.0 111.332 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.9 mp0 -66.38 -22.55 66.25 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.717 -0.872 . . . . 0.0 112.838 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -80.62 -37.44 31.11 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.129 0.966 . . . . 0.0 110.893 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.3 t80 -54.84 -54.27 44.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.336 1.065 . . . . 0.0 110.714 174.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -36.84 77.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.919 0.866 . . . . 0.0 110.99 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -50.6 -49.32 56.8 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.278 1.037 . . . . 0.0 110.911 174.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.678 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -92.99 1.17 70.24 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.309 -0.869 . . . . 0.0 114.049 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 22' ' ' PHE . 58.5 t -71.83 -37.42 61.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 125.24 2.448 . . . . 0.0 106.719 165.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -72.67 -30.15 64.02 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 112.81 -1.995 . . . . 0.0 110.469 170.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.678 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.07 2.04 56.62 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.094 173.609 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -89.99 -43.75 10.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.105 0.955 . . . . 0.0 110.161 174.721 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 -90.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.949 0.881 . . . . 0.0 110.174 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 123.381 1.562 . . . . 0.0 111.412 175.606 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 122.0 0.905 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -145.74 95.52 2.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.74 0.781 . . . . 0.0 111.308 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -57.78 -73.33 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.033 0.92 . . . . 0.0 110.934 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 -112.01 0.64 Allowed Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.97 0.761 . . . . 0.0 111.264 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.602 ' O ' HG23 ' A' ' 7' ' ' VAL . 73.2 m-20 -73.22 91.51 1.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.495 0.664 . . . . 0.0 111.19 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 49.7 25.33 6.71 Favored Glycine 0 C--N 1.319 -0.374 0 CA-C-O 121.689 0.605 . . . . 0.0 111.915 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.07 HG22 HG23 ' A' ' 16' ' ' VAL . 55.8 t -97.33 87.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 121.557 -0.967 . . . . 0.0 110.986 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 91.82 4.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.5 0.667 . . . . 0.0 110.527 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.38 -176.2 3.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 123.068 1.413 . . . . 0.0 111.989 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 50.62 79.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.356 175.579 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -164.61 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.602 1.191 . . . . 0.0 110.791 174.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -119.13 -0.9 10.98 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.419 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.27 104.16 0.36 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.27 130.58 46.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.048 0.928 . . . . 0.0 111.016 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -169.15 136.6 1.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.894 0.855 . . . . 0.0 110.887 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.07 HG23 HG22 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -78.57 171.42 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 123.275 1.512 . . . . 0.0 112.034 -174.16 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.83 73.39 1.2 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.898 1.332 . . . . 0.0 109.6 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 26.0 m95 -52.41 -17.81 1.36 Allowed 'General case' 0 C--O 1.247 0.954 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.27 -49.15 9.73 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -14.86 53.38 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.081 -0.658 . . . . 0.0 112.681 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.36 23.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.974 0.892 . . . . 0.0 110.961 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.838 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 t80 -67.75 -42.3 82.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.796 0.808 . . . . 0.0 110.686 174.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -63.56 -42.22 98.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.981 0.896 . . . . 0.0 111.065 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.85 74.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.879 0.847 . . . . 0.0 110.927 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.86 -29.75 58.7 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.5 t -64.86 -54.98 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.878 1.323 . . . . 0.0 110.883 174.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -50.42 -42.45 53.88 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.927 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -71.32 -29.38 64.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.821 0.82 . . . . 0.0 111.089 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.812 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.74 -37.07 83.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 111.05 174.279 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 25.51 3.02 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.759 -0.588 . . . . 0.0 111.979 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 122.347 1.07 . . . . 0.0 110.619 174.466 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.968 0.89 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.416 ' CE1' ' NE2' ' A' ' 8' ' ' HIS . 23.7 t80 -107.29 78.27 1.21 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.571 0.7 . . . . 0.0 110.578 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.477 ' HB2' HG12 ' A' ' 7' ' ' VAL . 6.3 m-85 -46.29 117.44 1.57 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.861 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 5' ' ' ASN . . . -45.91 139.97 6.03 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.7 t-20 89.15 48.21 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.446 1.117 . . . . 0.0 111.122 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.634 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . 62.48 18.94 59.48 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.67 HG22 HG23 ' A' ' 16' ' ' VAL . 16.9 t -99.46 149.63 5.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.203 -1.175 . . . . 0.0 111.271 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.416 ' NE2' ' CE1' ' A' ' 2' ' ' TYR . 0.9 OUTLIER -135.65 92.54 2.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.024 0.916 . . . . 0.0 111.042 175.134 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.08 158.28 15.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.411 1.101 . . . . 0.0 111.09 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 72.42 46.71 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.857 1.313 . . . . 0.0 110.648 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE3' ' HB3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -149.57 81.91 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.438 1.59 . . . . 0.0 110.065 174.338 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p 46.6 30.76 1.19 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.262 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.49 134.55 4.58 Favored Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 124.9 10.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 174.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -141.42 121.54 13.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.982 0.896 . . . . 0.0 110.918 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.67 HG23 HG22 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -98.14 151.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.492 1.139 . . . . 0.0 111.649 -174.424 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.94 70.9 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.944 0.878 . . . . 0.0 109.958 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.576 ' NE1' HG11 ' A' ' 16' ' ' VAL . 21.8 m95 -48.28 -23.92 1.04 Allowed 'General case' 0 C--O 1.247 0.926 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.637 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -77.61 -55.22 4.3 Favored Glycine 0 N--CA 1.464 0.511 0 CA-C-O 122.374 0.985 . . . . 0.0 110.85 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -58.23 8.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.859 1.79 . . . . 0.0 110.023 -176.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . . . -41.98 -43.83 3.28 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.378 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.637 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 7.7 t80 -52.22 -54.84 25.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.453 1.121 . . . . 0.0 110.784 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -62.76 -33.16 74.59 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 111.011 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.68 55.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.297 1.046 . . . . 0.0 110.915 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.14 -25.14 71.85 Favored Glycine 0 C--O 1.238 0.354 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.625 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.56 -44.28 79.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.045 0.926 . . . . 0.0 110.88 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.01 -39.74 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.686 0.755 . . . . 0.0 111.079 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -81.34 -29.78 34.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.657 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.2 -64.48 0.9 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.9 . . . . 0.0 110.77 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.59 -55.71 5.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.748 1.261 . . . . 0.0 110.802 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 123.601 1.667 . . . . 0.0 110.594 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.932 0.872 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.594 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 1.3 m-85 -128.96 156.96 42.94 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.812 0.815 . . . . 0.0 111.099 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.594 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.5 m-30 -132.12 27.4 4.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.497 0.665 . . . . 0.0 111.462 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 158.27 0.58 Allowed Glycine 0 C--N 1.32 -0.334 0 CA-C-O 122.191 0.884 . . . . 0.0 111.432 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 m120 57.61 40.32 26.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.977 0.894 . . . . 0.0 111.043 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.28 48.89 71.77 Favored Glycine 0 C--N 1.321 -0.283 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 16' ' ' VAL . 55.4 t -111.68 136.06 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.881 0.848 . . . . 0.0 111.027 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.08 128.9 18.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.065 0.936 . . . . 0.0 111.054 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -89.7 99.67 12.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 110.917 -176.638 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -166.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.005 0.907 . . . . 0.0 110.934 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -73.18 -33.15 65.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.672 0.749 . . . . 0.0 111.185 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -105.85 25.86 10.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.691 -0.63 . . . . 0.0 112.252 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.65 19.42 Favored Glycine 0 N--CA 1.462 0.417 0 O-C-N 121.329 -0.857 . . . . 0.0 111.312 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -119.69 135.72 54.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.076 0.941 . . . . 0.0 111.12 -174.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.41 136.96 26.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 -174.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 7' ' ' VAL . 62.8 t -94.28 111.92 26.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.475 0.655 . . . . 0.0 111.414 -174.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.14 107.19 3.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.769 0.795 . . . . 0.0 110.384 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -82.5 26.43 0.56 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.71 -51.83 0.19 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.54 -17.77 64.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.542 0.686 . . . . 0.0 112.406 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.21 35.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.948 0.88 . . . . 0.0 110.952 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.747 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.0 t80 -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.793 0.806 . . . . 0.0 110.81 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -69.63 -35.22 75.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.981 0.896 . . . . 0.0 111.1 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.957 0.884 . . . . 0.0 111.075 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.39 -28.58 57.54 Favored Glycine 0 C--O 1.238 0.38 0 CA-C-O 121.688 0.604 . . . . 0.0 111.648 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 22' ' ' PHE . 94.2 t -63.49 -55.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.644 1.211 . . . . 0.0 110.612 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -46.86 -47.96 21.17 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.905 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -44.01 84.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.093 0.949 . . . . 0.0 110.863 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.92 -35.28 76.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.824 0.821 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 35.32 3.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.084 0.945 . . . . 0.0 111.137 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 121.84 0.829 . . . . 0.0 111.107 -177.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.96 0.886 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.738 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 37.5 t80 -138.08 86.43 2.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.677 0.751 . . . . 0.0 111.233 -175.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.722 ' CE1' ' HB2' ' A' ' 9' ' ' CYS . 82.2 m-85 -55.78 145.57 23.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.092 0.948 . . . . 0.0 110.773 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.82 145.38 33.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 122.054 0.808 . . . . 0.0 111.814 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 75.2 46.98 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.04 0.924 . . . . 0.0 111.542 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 58.81 10.99 Favored Glycine 0 C--O 1.238 0.361 0 CA-C-O 121.926 0.737 . . . . 0.0 113.485 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.71 ' CG2' HG23 ' A' ' 16' ' ' VAL . 2.6 t -129.92 130.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.6 -0.941 . . . . 0.0 110.676 173.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.738 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -121.91 109.3 14.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.827 0.822 . . . . 0.0 111.86 175.114 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.722 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 1.2 m -90.47 91.16 8.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.512 171.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 11' ' ' LYS . 2.4 t -126.11 -112.13 0.29 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -170.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.556 ' HG3' ' H ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -41.05 -61.14 1.04 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.245 1.021 . . . . 0.0 112.929 -170.279 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.556 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 66.2 p 176.62 37.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.089 0.947 . . . . 0.0 111.026 -174.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.9 0.33 Allowed Glycine 0 CA--C 1.522 0.478 0 CA-C-O 122.755 1.197 . . . . 0.0 112.647 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 82.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.471 -0.865 . . . . 0.0 110.795 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.1 p -153.08 179.69 8.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.318 1.056 . . . . 0.0 111.711 -173.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG23 ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -110.88 152.98 12.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.878 1.323 . . . . 0.0 112.755 -174.246 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.08 75.81 1.01 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.992 1.377 . . . . 0.0 109.003 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CE2' HG11 ' A' ' 16' ' ' VAL . 24.1 m95 -49.19 -20.5 0.61 Allowed 'General case' 0 C--O 1.248 0.98 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -171.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -53.66 5.76 Favored Glycine 0 C--N 1.317 -0.496 0 CA-C-O 122.327 0.959 . . . . 0.0 110.746 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.32 -20.13 65.9 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.902 -0.764 . . . . 0.0 112.844 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.89 -36.33 31.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.004 0.907 . . . . 0.0 110.625 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.81 -38.45 85.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.965 0.888 . . . . 0.0 110.581 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -62.69 -45.54 92.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.815 0.817 . . . . 0.0 110.961 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -41.57 65.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.995 0.902 . . . . 0.0 110.947 174.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.49 58.63 Favored Glycine 0 C--O 1.238 0.385 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.991 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.08 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.178 0.989 . . . . 0.0 110.875 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -43.89 91.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.843 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -72.87 -28.31 62.42 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.646 0.736 . . . . 0.0 111.354 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.4 -49.22 35.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.879 0.847 . . . . 0.0 111.057 177.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.51 0.87 36.04 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--N 1.319 -0.745 0 O-C-N 121.181 -0.949 . . . . 0.0 110.851 174.603 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 tttt . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.952 0.882 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.505 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -71.81 130.83 42.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.831 0.824 . . . . 0.0 110.947 174.71 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.623 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 23.1 m-85 -119.49 79.03 1.37 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.692 0.758 . . . . 0.0 111.146 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.91 -114.5 4.22 Favored Glycine 0 C--N 1.319 -0.385 0 CA-C-O 122.045 0.803 . . . . 0.0 111.466 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.482 ' OD1' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -61.48 -30.31 70.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.332 1.063 . . . . 0.0 112.577 -175.729 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.505 ' HA2' ' CE1' ' A' ' 2' ' ' TYR . . . 135.79 41.59 0.13 Allowed Glycine 0 C--O 1.239 0.453 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.542 -176.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.859 HG13 HG22 ' A' ' 16' ' ' VAL . 71.5 t -92.66 68.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.533 1.159 . . . . 0.0 110.062 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -64.54 167.16 7.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 122.141 0.972 . . . . 0.0 111.331 -172.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.27 100.66 3.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.98 0.895 . . . . 0.0 110.741 174.391 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -91.11 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 123.107 1.432 . . . . 0.0 110.67 -175.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.623 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -161.94 -41.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.547 1.165 . . . . 0.0 110.487 -174.44 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.623 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 88.5 p -77.63 -4.25 45.04 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.276 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.15 157.3 7.26 Favored Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -63.04 156.37 24.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.982 0.896 . . . . 0.0 111.017 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -154.55 79.28 1.09 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.051 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.859 HG22 HG13 ' A' ' 7' ' ' VAL . 41.9 t -62.31 150.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 122.114 0.959 . . . . 0.0 111.135 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.6 t-20 -116.82 90.15 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.994 0.902 . . . . 0.0 110.692 174.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -68.43 -2.28 8.27 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 -41.28 2.53 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.195 -0.941 . . . . 0.0 111.087 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.0 mt-10 -65.14 -16.18 63.22 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.009 -0.701 . . . . 0.0 112.81 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.44 -36.6 20.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.034 0.921 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.868 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.65 -49.87 74.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.19 0.995 . . . . 0.0 110.714 174.734 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -38.11 86.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.819 0.819 . . . . 0.0 111.167 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.618 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . . . -52.13 -48.88 64.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.529 1.157 . . . . 0.0 110.948 176.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.4 -21.07 76.11 Favored Glycine 0 C--O 1.24 0.494 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.42 -176.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 22' ' ' PHE . 94.7 t -66.72 -58.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 174.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.618 ' CD2' ' HA ' ' A' ' 24' ' ' ALA . 5.4 p80 -61.6 -26.95 68.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.382 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -33.2 62.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.542 1.163 . . . . 0.0 110.263 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.778 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.91 -39.18 91.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.902 0.858 . . . . 0.0 110.74 174.068 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.05 29.92 2.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.435 0.636 . . . . 0.0 111.668 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.1 t30 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 122.003 0.906 . . . . 0.0 110.873 174.742 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.009 0.909 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.661 ' HE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -92.99 152.24 19.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 174.375 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -124.9 -78.43 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.611 0.719 . . . . 0.0 111.302 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.66 -146.28 17.24 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.085 0.825 . . . . 0.0 111.866 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -16.87 61.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.798 -0.825 . . . . 0.0 112.779 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.661 ' HA2' ' HE1' ' A' ' 2' ' ' TYR . . . 174.25 40.68 0.05 OUTLIER Glycine 0 C--N 1.319 -0.411 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -175.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 16' ' ' VAL . 54.4 t -109.37 147.56 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.922 0.867 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.7 79.17 1.88 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.076 0.941 . . . . 0.0 110.916 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.89 130.74 45.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.291 1.043 . . . . 0.0 111.004 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.92 -84.3 0.66 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.046 1.403 . . . . 0.0 110.623 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 -37.86 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.754 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.9 p -122.61 30.6 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.668 0.747 . . . . 0.0 111.199 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.07 -97.04 0.37 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-O 122.914 1.285 . . . . 0.0 110.709 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m 62.2 98.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.998 1.38 . . . . 0.0 111.688 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 p -166.07 129.9 2.15 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.755 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 7' ' ' VAL . 36.1 t -93.71 116.73 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.866 0.841 . . . . 0.0 111.6 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.585 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -78.85 84.66 4.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.164 0.983 . . . . 0.0 110.265 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -49.41 -25.67 2.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.15 -41.8 6.12 Favored Glycine 0 N--CA 1.464 0.517 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -69.03 -9.09 50.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.678 -0.895 . . . . 0.0 112.709 174.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.924 0.868 . . . . 0.0 110.944 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.857 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.2 t80 -68.78 -35.09 76.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.981 0.896 . . . . 0.0 110.977 174.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -69.62 -35.8 75.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.854 0.835 . . . . 0.0 111.008 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.58 98.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.074 0.94 . . . . 0.0 110.973 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -28.77 67.44 Favored Glycine 0 C--O 1.238 0.383 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 22' ' ' PHE . 86.6 t -66.53 -54.78 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 122.874 1.321 . . . . 0.0 110.482 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -45.62 -44.3 13.01 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.487 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -78.03 -34.05 50.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.02 0.914 . . . . 0.0 111.15 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -49.86 76.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.854 0.835 . . . . 0.0 110.913 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.81 29.31 3.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.529 0.68 . . . . 0.0 111.471 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 122.109 0.957 . . . . 0.0 110.748 174.687 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.683 ' HD2' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.941 0.877 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.683 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 24.8 t80 -99.76 104.05 15.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.983 0.897 . . . . 0.0 111.122 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.736 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 62.7 m-85 -78.4 177.9 8.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.94 0.876 . . . . 0.0 110.957 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 161.31 37.39 Favored Glycine 0 C--N 1.32 -0.347 0 CA-C-O 122.133 0.852 . . . . 0.0 111.524 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 63.76 47.6 3.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.973 0.892 . . . . 0.0 111.155 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 52.81 39.49 Favored Glycine 0 C--N 1.32 -0.341 0 CA-C-O 121.806 0.67 . . . . 0.0 112.138 174.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.032 HG22 HG22 ' A' ' 16' ' ' VAL . 11.3 t -119.36 144.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.77 -0.841 . . . . 0.0 110.753 174.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -136.92 94.66 2.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.079 0.942 . . . . 0.0 111.467 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.736 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . 3.9 m -90.97 156.76 17.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 0.0 110.853 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.19 153.72 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.838 0.828 . . . . 0.0 110.778 -174.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.33 90.34 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.11 0.957 . . . . 0.0 110.568 -174.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p 79.24 0.42 2.32 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 124.632 1.173 . . . . 0.0 112.417 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.91 172.78 39.16 Favored Glycine 0 C--N 1.318 -0.424 0 O-C-N 120.93 -1.107 . . . . 0.0 111.532 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 m -72.04 135.34 46.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.651 0.738 . . . . 0.0 110.999 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.75 138.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.057 0.932 . . . . 0.0 111.235 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.032 HG22 HG22 ' A' ' 7' ' ' VAL . 93.3 t -96.79 135.88 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.951 0.881 . . . . 0.0 110.966 -175.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -18.95 65.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.759 ' H ' HG12 ' A' ' 16' ' ' VAL . 83.5 m95 27.09 44.51 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 124.977 1.311 . . . . 0.0 112.928 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -51.01 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.42 -20.05 66.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.352 1.073 . . . . 0.0 112.019 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -72.19 -47.95 46.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.104 0.954 . . . . 0.0 110.798 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.53 -46.51 63.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.076 0.941 . . . . 0.0 110.895 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.488 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.1 t -71.03 -29.29 65.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.82 0.819 . . . . 0.0 111.187 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -61.09 -41.16 96.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.026 0.917 . . . . 0.0 110.92 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.56 -41.08 21.11 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -56.2 -45.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 122.027 0.917 . . . . 0.0 110.979 174.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -55.64 -49.48 72.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.961 0.886 . . . . 0.0 110.983 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.23 -37.22 69.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.988 0.899 . . . . 0.0 110.913 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.94 -36.24 80.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.898 0.856 . . . . 0.0 110.912 177.247 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.86 61.66 0.73 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.756 1.265 . . . . 0.0 110.974 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 . . . . . 0 CA--C 1.51 -0.577 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 175.536 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.675 ' CG ' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.014 0.911 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.679 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 2.7 t80 -71.2 157.57 37.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.675 0.75 . . . . 0.0 111.056 -175.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.679 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 6.5 m-30 -133.94 63.58 1.62 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.063 0.935 . . . . 0.0 111.512 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' A' ' 2' ' ' TYR . . . 70.59 -112.35 4.24 Favored Glycine 0 CA--C 1.508 -0.353 0 CA-C-O 122.417 1.009 . . . . 0.0 113.787 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.588 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 5.5 t-20 -50.45 -26.53 5.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -173.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 2' ' ' TYR . . . 129.9 66.9 0.11 Allowed Glycine 0 C--N 1.319 -0.365 0 CA-C-O 122.237 0.91 . . . . 0.0 111.036 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.978 HG22 ' CG2' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -125.62 94.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 122.715 1.245 . . . . 0.0 110.478 176.808 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.461 ' NE2' ' CE1' ' A' ' 2' ' ' TYR . 1.9 m80 -92.99 83.94 4.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.093 -174.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.668 ' SG ' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -109.77 139.95 44.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.894 0.854 . . . . 0.0 110.834 174.393 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 3.0 p -122.55 24.59 9.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.369 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' THR . 1.4 tttp 93.53 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.625 1.57 . . . . 0.0 111.885 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -76.33 -8.31 56.84 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.853 -174.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.64 112.37 0.26 Allowed Glycine 0 C--N 1.319 -0.407 0 O-C-N 121.205 -0.934 . . . . 0.0 111.079 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 41.3 t -92.39 148.77 21.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.71 0.766 . . . . 0.0 110.852 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -144.77 71.92 1.32 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.145 0.974 . . . . 0.0 110.935 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.978 ' CG2' HG22 ' A' ' 7' ' ' VAL . 57.4 t -58.47 124.62 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.864 0.84 . . . . 0.0 110.956 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -82.95 81.36 8.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.181 0.991 . . . . 0.0 110.647 174.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -61.29 -15.34 34.43 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.48 -48.8 3.87 Favored Glycine 0 N--CA 1.464 0.513 0 O-C-N 121.31 -0.869 . . . . 0.0 111.454 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -14.16 40.88 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.666 -0.902 . . . . 0.0 112.897 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.588 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -81.91 -43.45 18.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.845 0.831 . . . . 0.0 111.07 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -60.92 -42.13 97.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.967 0.889 . . . . 0.0 110.867 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -69.27 -34.81 75.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.997 0.903 . . . . 0.0 111.052 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.68 87.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.987 0.899 . . . . 0.0 111.008 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.95 -37.15 16.67 Favored Glycine 0 C--N 1.32 -0.322 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.57 -34.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.982 0.896 . . . . 0.0 110.871 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.57 -55.33 28.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.957 0.884 . . . . 0.0 110.817 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -55.47 -34.64 64.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.007 0.908 . . . . 0.0 110.979 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.95 -40.95 64.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.882 . . . . 0.0 111.015 -178.696 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.82 33.69 3.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.711 0.767 . . . . 0.0 111.545 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.972 0.892 . . . . 0.0 110.896 174.755 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.007 0.908 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.75 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 4.8 t80 -73.08 172.78 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.909 0.862 . . . . 0.0 111.053 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.564 ' HB2' HG12 ' A' ' 7' ' ' VAL . 11.8 m-85 -148.85 175.73 11.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.893 0.854 . . . . 0.0 110.939 175.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 150.58 41.79 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-O 122.049 0.805 . . . . 0.0 111.22 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 70.39 37.31 1.56 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.861 0.839 . . . . 0.0 110.927 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.28 43.29 64.52 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.897 0.721 . . . . 0.0 111.439 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.908 HG22 HG22 ' A' ' 16' ' ' VAL . 1.5 t -100.55 151.4 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.996 0.903 . . . . 0.0 110.999 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.75 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -148.22 98.15 2.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.803 0.811 . . . . 0.0 111.063 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.604 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 7.0 m -86.79 137.7 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.712 0.768 . . . . 0.0 110.679 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 11' ' ' LYS . 18.7 m -147.66 -101.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.133 0.492 . . . . 0.0 111.865 -173.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -45.1 -54.19 7.06 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.258 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.1 p -173.54 76.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.18 -0.95 . . . . 0.0 111.241 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 126.51 -146.12 16.12 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -174.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.7 m -137.69 147.11 44.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.203 1.002 . . . . 0.0 111.241 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.1 94.14 3.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.991 0.9 . . . . 0.0 110.786 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.908 HG22 HG22 ' A' ' 7' ' ' VAL . 9.0 t -76.63 126.9 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 111.832 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -84.82 93.39 8.48 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.018 0.913 . . . . 0.0 110.225 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -70.39 2.27 4.06 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.44 -34.96 5.12 Favored Glycine 0 C--N 1.318 -0.469 0 O-C-N 121.063 -1.023 . . . . 0.0 111.512 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -75.83 -22.41 56.3 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.618 -0.931 . . . . 0.0 112.638 177.036 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -74.7 -36.82 62.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.522 1.153 . . . . 0.0 110.126 173.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -54.34 -64.61 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.315 1.055 . . . . 0.0 110.422 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -56.13 -34.27 65.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.349 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -50.46 -64.31 0.85 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.323 1.058 . . . . 0.0 110.873 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.706 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -87.85 -1.38 82.63 Favored Glycine 0 C--O 1.242 0.631 0 O-C-N 121.458 -0.776 . . . . 0.0 113.905 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -28.83 29.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 123.262 1.506 . . . . 0.0 107.615 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -81.91 -25.93 34.53 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.202 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.706 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -75.35 -28.26 59.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.704 0.764 . . . . 0.0 110.127 172.245 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -76.64 -44.82 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.026 0.917 . . . . 0.0 110.756 176.639 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 35.62 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.017 0.913 . . . . 0.0 111.123 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 122.075 0.94 . . . . 0.0 110.963 174.921 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . 0.528 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 122.18 0.99 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.5 t80 65.03 146.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.391 1.091 . . . . 0.0 110.961 -174.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 20.1 m-85 -145.51 172.22 13.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.808 0.813 . . . . 0.0 110.873 -175.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 1.68 18.99 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.307 0.883 . . . . 0.0 115.307 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.24 38.22 3.66 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.3 -1.118 . . . . 0.0 110.743 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.97 36.26 19.98 Favored Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.899 0.722 . . . . 0.0 111.576 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.65 HG22 HG22 ' A' ' 16' ' ' VAL . 9.0 t -95.77 93.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 122.04 0.924 . . . . 0.0 110.916 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -95.04 108.14 20.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.296 1.046 . . . . 0.0 111.251 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 122.57 43.59 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.9 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.17 159.92 41.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.28 1.038 . . . . 0.0 111.888 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 4.4 ptmt 48.61 45.09 21.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.33 1.062 . . . . 0.0 112.097 173.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p 53.97 75.21 0.28 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.147 1.451 . . . . 0.0 110.276 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.73 162.28 10.83 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 157.8 33.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.869 1.319 . . . . 0.0 111.835 -174.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 83.68 1.6 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.144 0.973 . . . . 0.0 110.342 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 HG22 ' A' ' 7' ' ' VAL . 96.8 t -71.7 145.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.698 1.237 . . . . 0.0 112.3 -173.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -95.67 107.75 19.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.133 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -76.12 11.53 1.45 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.56 -46.58 1.64 Allowed Glycine 0 C--N 1.317 -0.513 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -27.17 69.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.374 1.083 . . . . 0.0 112.451 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 -32.86 48.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.068 0.937 . . . . 0.0 110.908 177.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.846 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -56.94 -57.09 14.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.433 1.111 . . . . 0.0 110.64 174.373 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -42.53 88.9 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.761 0.791 . . . . 0.0 111.146 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -52.6 -50.12 63.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.212 1.006 . . . . 0.0 110.887 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.61 -19.85 72.67 Favored Glycine 0 C--O 1.241 0.554 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.766 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 22' ' ' PHE . 85.5 t -68.64 -61.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 122.246 1.022 . . . . 0.0 111.356 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.514 ' CD2' ' HA ' ' A' ' 24' ' ' ALA . 4.0 p80 -58.84 -26.41 64.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.295 176.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 2.7 ttm180 -72.48 -37.33 68.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.256 1.027 . . . . 0.0 110.31 173.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -58.42 -37.45 75.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.807 0.813 . . . . 0.0 110.47 174.294 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.7 42.38 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.398 1.094 . . . . 0.0 110.985 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.087 179.233 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.685 0.755 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -91.33 -5.57 54.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.473 ' HE2' ' HB2' ' A' ' 9' ' ' CYS . 5.4 m-85 51.48 -172.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 122.709 1.242 . . . . 0.0 111.951 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -177.55 22.17 Favored Glycine 0 N--CA 1.46 0.283 0 O-C-N 121.36 -0.837 . . . . 0.0 111.891 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 31.71 61.87 0.28 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 125.609 1.563 . . . . 0.0 113.287 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.05 56.8 14.94 Favored Glycine 0 CA--C 1.509 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.891 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.498 HG13 ' SG ' ' A' ' 9' ' ' CYS . 2.4 t -124.28 160.14 29.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 121.736 -0.861 . . . . 0.0 110.564 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.7 m80 -156.01 99.25 1.95 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.589 -0.694 . . . . 0.0 110.69 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 9.8 m -130.33 172.05 12.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.254 1.026 . . . . 0.0 111.223 -176.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.49 40.05 17.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.335 1.064 . . . . 0.0 110.901 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.647 ' HG3' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -132.33 -56.51 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.032 0.92 . . . . 0.0 110.941 174.714 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.647 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 88.0 p -148.09 33.9 0.82 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.052 0.93 . . . . 0.0 110.823 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.11 126.08 5.6 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 52.2 t -62.19 137.04 58.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.947 0.88 . . . . 0.0 110.953 -177.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.94 110.39 2.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.985 0.898 . . . . 0.0 111.091 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.69 HG11 ' NE1' ' A' ' 18' ' ' TRP . 4.5 p -81.45 122.07 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.79 0.805 . . . . 0.0 111.582 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.556 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -91.05 69.88 6.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.464 1.126 . . . . 0.0 109.967 172.576 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.69 ' NE1' HG11 ' A' ' 16' ' ' VAL . 22.4 m95 -47.4 -23.69 0.65 Allowed 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -174.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.42 -48.65 10.38 Favored Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mm-40 -54.69 -23.0 15.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 112.813 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.51 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.896 0.855 . . . . 0.0 110.924 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.858 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.7 t80 -62.99 -30.64 71.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.705 0.764 . . . . 0.0 110.929 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -73.0 -34.01 66.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.026 0.917 . . . . 0.0 111.072 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.88 85.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.969 0.89 . . . . 0.0 110.976 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.18 -28.68 65.81 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-O 121.695 0.608 . . . . 0.0 111.623 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 22' ' ' PHE . 80.0 t -66.07 -53.67 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.986 1.374 . . . . 0.0 110.649 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -47.56 -42.61 24.01 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.31 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.98 -38.69 82.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 110.931 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -59.26 -25.01 63.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.364 0.602 . . . . 0.0 111.547 175.764 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.13 37.93 1.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.26 1.029 . . . . 0.0 111.248 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.982 0.896 . . . . 0.0 111.024 -178.165 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tttm . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.918 0.866 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.99 93.22 8.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.097 0.951 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' HB2' HG12 ' A' ' 7' ' ' VAL . 4.1 m-30 -76.68 175.58 9.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.954 0.883 . . . . 0.0 110.958 177.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 146.77 44.19 Favored Glycine 0 C--N 1.32 -0.329 0 CA-C-O 122.669 1.149 . . . . 0.0 112.522 -174.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 55.23 72.39 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.028 0.918 . . . . 0.0 111.822 174.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 46.07 44.57 14.27 Favored Glycine 0 C--O 1.24 0.493 0 CA-C-N 115.766 -0.652 . . . . 0.0 114.013 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.463 HG13 ' SG ' ' A' ' 14' ' ' CYS . 40.8 t -112.59 143.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.499 -1.001 . . . . 0.0 110.771 174.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.6 m80 -148.3 97.45 2.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 0.0 111.039 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 3.4 m -94.25 141.54 28.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.932 0.873 . . . . 0.0 110.641 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.493 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 2.6 p -130.15 54.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.884 0.85 . . . . 0.0 111.174 -174.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 50.07 28.17 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.461 0.648 . . . . 0.0 111.663 179.407 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 21.83 2.28 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.471 -0.768 . . . . 0.0 111.654 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' ' 14' ' ' CYS . . . 115.38 -107.49 1.75 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 1.0 OUTLIER 179.95 154.94 0.57 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.283 1.04 . . . . 0.0 111.139 174.156 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.6 66.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.93 0.871 . . . . 0.0 110.544 -175.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.659 HG11 ' NE1' ' A' ' 18' ' ' TRP . 9.6 p -52.4 122.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.022 0.915 . . . . 0.0 111.756 -174.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -91.09 70.37 6.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.321 1.058 . . . . 0.0 109.912 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.659 ' NE1' HG11 ' A' ' 16' ' ' VAL . 22.3 m95 -50.74 -19.92 1.1 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.81 18.7 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 174.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -15.38 16.0 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.084 -0.657 . . . . 0.0 112.677 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -35.58 29.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.913 0.864 . . . . 0.0 111.238 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -71.03 -34.68 71.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.124 0.964 . . . . 0.0 110.863 175.504 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.36 -31.23 62.32 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.058 0.932 . . . . 0.0 110.909 174.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -66.64 -32.48 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.987 0.898 . . . . 0.0 110.919 174.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.1 -32.16 53.32 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.2 t -63.77 -58.42 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.798 1.285 . . . . 0.0 110.625 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -48.51 -42.32 32.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.179 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -73.42 -30.68 63.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.945 0.879 . . . . 0.0 110.974 179.565 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.766 0.793 . . . . 0.0 110.766 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.35 -99.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.497 0.665 . . . . 0.0 110.458 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 123.79 1.757 . . . . 0.0 110.709 176.12 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.539 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 121.883 0.849 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.649 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 24.9 t80 -75.72 168.14 20.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.977 0.894 . . . . 0.0 110.941 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.738 ' HB2' HG12 ' A' ' 7' ' ' VAL . 30.6 m-85 -145.96 -169.18 3.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.276 0.56 . . . . 0.0 110.768 -174.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.45 -169.47 0.1 OUTLIER Glycine 0 C--N 1.32 -0.328 0 CA-C-O 123.05 1.361 . . . . 0.0 113.01 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.616 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 29.9 m120 -46.68 125.44 7.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.262 1.029 . . . . 0.0 112.813 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.598 ' O ' HG13 ' A' ' 16' ' ' VAL . . . 47.43 41.05 16.72 Favored Glycine 0 C--O 1.241 0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.669 173.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.84 HG22 HG22 ' A' ' 16' ' ' VAL . 7.0 t -128.65 126.4 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 O-C-N 121.463 -1.022 . . . . 0.0 111.393 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.649 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -147.78 100.51 3.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.83 0.824 . . . . 0.0 111.336 179.449 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . 8.6 m -99.14 121.16 40.64 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.1 66.27 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.907 1.337 . . . . 0.0 112.147 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -176.66 29.77 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.712 1.72 . . . . 0.0 111.528 173.344 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p 59.72 51.42 6.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.701 1.715 . . . . 0.0 109.622 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.56 125.31 0.97 Allowed Glycine 0 N--CA 1.46 0.271 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.44 173.25 2.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.895 1.331 . . . . 0.0 111.826 -173.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.14 48.04 0.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.279 1.037 . . . . 0.0 110.598 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.84 HG22 HG22 ' A' ' 7' ' ' VAL . 26.0 t -52.33 122.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.016 0.912 . . . . 0.0 111.643 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.3 91.25 1.69 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.249 1.023 . . . . 0.0 110.428 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -60.36 -12.93 10.56 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.41 -52.15 4.34 Favored Glycine 0 N--CA 1.464 0.512 0 O-C-N 121.278 -0.889 . . . . 0.0 111.04 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.955 0.883 . . . . 0.0 112.814 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.737 0.779 . . . . 0.0 111.124 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.796 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.0 t80 -69.25 -40.12 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.023 0.916 . . . . 0.0 110.97 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -75.28 -31.19 60.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.973 0.892 . . . . 0.0 110.997 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.616 ' HB1' ' CG ' ' A' ' 5' ' ' ASN . . . -66.61 -39.6 88.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.872 0.844 . . . . 0.0 111.06 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.57 -34.98 59.61 Favored Glycine 0 N--CA 1.462 0.403 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.9 t -64.74 -55.13 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 123.032 1.396 . . . . 0.0 110.365 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -46.74 -40.78 14.08 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.186 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.68 80.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.976 0.893 . . . . 0.0 110.945 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.1 -32.37 61.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.766 0.793 . . . . 0.0 110.921 175.553 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.84 56.36 1.85 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.699 1.237 . . . . 0.0 111.224 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -50.3 68.76 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.237 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.95 -96.39 0.11 Allowed Glycine 0 N--CA 1.461 0.323 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.8 15.71 80.69 Favored Glycine 0 N--CA 1.462 0.406 0 O-C-N 121.86 -0.788 . . . . 0.0 113.338 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 t30 48.9 59.86 4.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.526 1.631 . . . . 0.0 110.639 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.78 -154.29 7.32 Favored Glycine 0 N--CA 1.46 0.256 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.208 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.77 27.35 4.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 . . . . . 1 C--O 1.381 7.987 0 CA-C-O 121.934 0.873 . . . . 0.0 111.116 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.952 0.882 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.453 ' CD1' ' CD2' ' A' ' 8' ' ' HIS . 13.1 m-30 -86.2 156.66 20.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.979 0.895 . . . . 0.0 111.154 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.404 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.1 m-30 -120.14 33.36 5.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.18 0.99 . . . . 0.0 110.774 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 -126.16 5.08 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.28 86.55 5.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.897 0.856 . . . . 0.0 111.015 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.84 49.93 8.85 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.519 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.871 HG22 HG22 ' A' ' 16' ' ' VAL . 96.3 t -101.22 82.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.621 -0.929 . . . . 0.0 110.991 174.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.453 ' CD2' ' CD1' ' A' ' 2' ' ' TYR . 3.1 m80 -90.22 115.4 27.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.092 0.949 . . . . 0.0 111.22 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.9 m -93.48 138.16 32.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.96 0.886 . . . . 0.0 110.879 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -177.19 4.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.068 0.937 . . . . 0.0 111.001 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -30.29 71.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.48 0.657 . . . . 0.0 111.171 174.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -87.11 -8.42 57.03 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.567 -0.708 . . . . 0.0 112.789 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.23 163.97 10.86 Favored Glycine 0 C--N 1.318 -0.471 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -77.9 136.58 38.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.008 0.909 . . . . 0.0 110.971 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 t -151.97 133.5 14.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.963 0.887 . . . . 0.0 110.984 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.871 HG22 HG22 ' A' ' 7' ' ' VAL . 42.5 t -96.9 111.93 27.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.086 0.946 . . . . 0.0 111.073 -174.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -69.16 94.06 0.65 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 0.0 110.982 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -72.76 2.41 6.69 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.44 -53.7 0.98 Allowed Glycine 0 N--CA 1.463 0.435 0 O-C-N 121.092 -1.005 . . . . 0.0 111.307 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.59 -18.64 60.21 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.715 -0.873 . . . . 0.0 112.727 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.05 17.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.825 0.821 . . . . 0.0 110.957 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -59.57 -46.46 88.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.189 0.995 . . . . 0.0 110.799 174.631 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -42.7 95.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.56 -48.91 57.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.368 1.08 . . . . 0.0 110.757 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -64.93 -47.48 82.21 Favored Glycine 0 N--CA 1.46 0.244 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -61.28 -30.51 48.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.211 -0.582 . . . . 0.0 111.279 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -35.97 82.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.168 0.985 . . . . 0.0 109.543 173.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 3.7 mtp180 -58.06 -68.3 0.26 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.699 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -50.17 -28.55 7.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.743 0.782 . . . . 0.0 111.687 174.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.62 48.66 1.08 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.657 1.218 . . . . 0.0 111.293 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.81 -47.67 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.112 0.958 . . . . 0.0 110.586 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.36 -92.18 2.22 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.18 99.66 0.46 Allowed Glycine 0 C--N 1.32 -0.341 0 CA-C-O 122.417 1.009 . . . . 0.0 112.426 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 t30 37.05 36.85 0.06 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.526 1.155 . . . . 0.0 112.639 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.16 -144.64 18.43 Favored Glycine 0 N--CA 1.46 0.259 0 CA-C-O 122.006 0.781 . . . . 0.0 111.333 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.72 118.3 14.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.844 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 1 C--O 1.38 7.962 0 CA-C-O 121.998 0.904 . . . . 0.0 111.024 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.716 ' HD2' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.463 0 CA-C-O 123.267 1.508 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.682 ' HD1' ' CD2' ' A' ' 8' ' ' HIS . 84.0 t80 -111.54 -3.61 15.07 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.516 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 49.56 24.32 1.12 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.327 -0.858 . . . . 0.0 112.243 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.484 ' HA2' ' CD2' ' A' ' 2' ' ' TYR . . . 18.97 81.92 0.01 OUTLIER Glycine 0 C--N 1.319 -0.408 0 C-N-CA 125.138 1.351 . . . . 0.0 116.376 -174.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.65 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.544 1.164 . . . . 0.0 111.265 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . 149.2 -14.64 1.12 Allowed Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.96 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 16' ' ' VAL . 69.5 t -92.71 118.89 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 O-C-N 121.175 -1.191 . . . . 0.0 111.48 -174.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.682 ' CD2' ' HD1' ' A' ' 2' ' ' TYR . 0.5 OUTLIER -109.33 106.6 16.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.594 0.712 . . . . 0.0 110.796 174.329 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.716 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 99.7 m -93.57 130.45 39.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.228 1.013 . . . . 0.0 111.093 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 -163.41 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.825 0.821 . . . . 0.0 110.975 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.54 -11.18 59.89 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -175.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -146.38 27.97 1.11 Allowed 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.207 -0.933 . . . . 0.0 112.527 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.36 149.9 5.19 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-O 122.134 0.852 . . . . 0.0 111.717 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 95.9 m -86.31 153.22 22.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.125 0.964 . . . . 0.0 110.947 -175.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -139.34 60.88 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.401 1.096 . . . . 0.0 110.656 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 7' ' ' VAL . 79.7 t -55.85 102.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.368 -174.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.656 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.64 88.45 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.151 0.976 . . . . 0.0 110.292 173.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.325 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.12 -42.84 11.47 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.9 mm-40 -60.11 -20.12 56.72 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.769 -0.842 . . . . 0.0 112.765 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . . . -76.75 -40.73 47.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.759 0.79 . . . . 0.0 111.068 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.6 t80 -64.24 -32.74 74.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.85 0.833 . . . . 0.0 110.87 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -70.09 -36.27 74.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.999 0.904 . . . . 0.0 110.967 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.7 88.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.043 0.925 . . . . 0.0 110.928 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.46 70.39 Favored Glycine 0 C--O 1.238 0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.738 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -65.79 -54.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.823 1.297 . . . . 0.0 110.696 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -47.1 -43.41 20.38 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.122 174.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -68.56 -37.78 80.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.006 0.907 . . . . 0.0 110.975 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.64 -38.3 87.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.747 0.784 . . . . 0.0 111.14 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.47 35.62 4.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.003 0.906 . . . . 0.0 111.269 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.49 -32.41 72.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.047 0.927 . . . . 0.0 110.939 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.22 -69.66 1.3 Allowed Glycine 0 C--N 1.321 -0.294 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.16 3.48 37.84 Favored Glycine 0 C--O 1.239 0.42 0 O-C-N 121.761 -0.847 . . . . 0.0 113.651 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -23.15 59.57 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.395 -1.062 . . . . 0.0 112.386 -174.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.89 104.75 0.15 Allowed Glycine 0 C--N 1.319 -0.4 0 CA-C-O 122.124 0.847 . . . . 0.0 112.069 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -141.1 52.38 1.58 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.211 1.005 . . . . 0.0 111.028 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m95 . . . . . 1 C--O 1.381 8.0 0 CA-C-O 121.959 0.885 . . . . 0.0 111.016 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 tttm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 122.033 0.921 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.4 168.84 19.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.938 0.875 . . . . 0.0 111.007 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.751 ' HD2' HG12 ' A' ' 7' ' ' VAL . 2.3 m-30 -142.4 -177.55 5.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 110.886 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 2.51 35.19 Favored Glycine 0 C--O 1.243 0.667 0 O-C-N 121.811 -0.556 . . . . 0.0 114.483 -174.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -157.06 55.43 0.52 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.226 -1.161 . . . . 0.0 111.221 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.24 49.41 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.783 0.657 . . . . 0.0 111.856 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 16' ' ' VAL . 22.7 t -101.59 101.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.976 0.893 . . . . 0.0 110.95 174.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.48 124.97 46.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.862 0.839 . . . . 0.0 110.929 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -91.11 134.99 34.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.091 0.948 . . . . 0.0 111.222 -174.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 44.0 p -118.91 34.68 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.752 0.787 . . . . 0.0 111.811 -174.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 59.08 9.66 1.35 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.454 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -114.19 -39.47 3.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.886 1.326 . . . . 0.0 111.047 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.21 34.61 0.02 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-O 123.313 1.507 . . . . 0.0 110.632 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER 56.23 155.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 124.091 1.9 . . . . 0.0 112.154 -172.473 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -147.86 132.5 17.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 7' ' ' VAL . 88.5 t -102.07 148.87 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 122.526 1.155 . . . . 0.0 112.065 -173.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -111.63 108.43 17.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.12 172.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.574 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 60.3 m95 -84.26 30.23 0.54 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.49 -41.04 0.64 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -36.73 84.97 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 111.151 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -36.36 21.03 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.8 t80 -56.55 -43.09 79.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.163 0.982 . . . . 0.0 110.83 174.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 p -73.89 -37.93 64.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.871 0.843 . . . . 0.0 111.0 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.84 76.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.941 0.877 . . . . 0.0 111.074 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.64 -30.98 55.51 Favored Glycine 0 C--N 1.319 -0.362 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.6 t -66.4 -57.86 8.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.72 1.248 . . . . 0.0 110.571 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -36.69 27.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.974 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -72.75 -37.3 67.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.037 0.922 . . . . 0.0 110.932 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.733 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.02 -41.63 92.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.836 0.827 . . . . 0.0 110.893 176.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.57 33.39 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.856 0.836 . . . . 0.0 111.26 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -97.32 -48.04 5.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.925 0.869 . . . . 0.0 111.072 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.81 63.07 0.16 Allowed Glycine 0 C--N 1.32 -0.357 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 101.35 0.16 Allowed Glycine 0 C--N 1.319 -0.382 0 CA-C-O 123.02 1.345 . . . . 0.0 111.179 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -168.23 -59.83 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 122.133 0.968 . . . . 0.0 111.23 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.92 58.66 0.89 Allowed Glycine 0 C--N 1.321 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.012 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CE2' ' CE3' ' A' ' 37' ' ' TRP . 11.0 t80 60.66 131.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 124.203 1.954 . . . . 0.0 112.841 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CE3' ' CE2' ' A' ' 36' ' ' PHE . 16.8 m0 . . . . . 1 C--O 1.38 7.929 0 O-C-N 120.439 -1.413 . . . . 0.0 110.973 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' HB3' ' HE3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.013 0.911 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.715 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -81.84 173.21 12.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.875 0.845 . . . . 0.0 110.997 177.147 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -148.52 -178.95 6.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.983 0.897 . . . . 0.0 110.985 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.03 -92.58 0.01 OUTLIER Glycine 0 C--N 1.32 -0.349 0 CA-C-O 123.542 1.634 . . . . 0.0 114.198 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.34 -8.3 5.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.809 -0.818 . . . . 0.0 113.082 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.68 53.1 0.49 Allowed Glycine 0 C--N 1.318 -0.438 0 O-C-N 121.411 -0.805 . . . . 0.0 111.107 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.99 HG22 HG23 ' A' ' 16' ' ' VAL . 14.7 t -105.95 135.77 42.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.891 0.853 . . . . 0.0 110.988 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.715 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -123.77 89.44 3.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.832 0.825 . . . . 0.0 110.861 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.8 m -89.04 115.78 26.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.042 0.925 . . . . 0.0 110.963 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -167.36 1.46 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.145 0.974 . . . . 0.0 110.983 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -64.1 -32.58 74.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.639 0.733 . . . . 0.0 111.26 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.2 p -72.23 -14.14 61.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -111.01 0.56 Allowed Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.8 m -137.54 156.77 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.002 0.906 . . . . 0.0 110.889 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.0 70.53 1.24 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.063 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.99 HG23 HG22 ' A' ' 7' ' ' VAL . 1.4 p -67.95 148.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.967 0.889 . . . . 0.0 111.091 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -115.59 68.63 0.72 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.467 1.127 . . . . 0.0 110.447 173.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.703 ' NE1' HG11 ' A' ' 16' ' ' VAL . 23.7 m95 -50.0 -21.48 1.24 Allowed 'General case' 0 C--O 1.245 0.841 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.02 -46.09 9.71 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.11 -15.59 57.2 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.808 -0.819 . . . . 0.0 112.518 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.66 23.33 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.862 0.839 . . . . 0.0 111.04 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -41.71 98.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.296 1.046 . . . . 0.0 110.608 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.27 -40.12 93.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.958 0.885 . . . . 0.0 111.043 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.57 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.951 0.881 . . . . 0.0 110.954 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 -32.82 54.89 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -35.22 72.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.844 0.83 . . . . 0.0 110.977 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -64.51 -51.0 65.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.094 0.949 . . . . 0.0 110.545 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -53.18 -35.5 59.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.006 0.908 . . . . 0.0 110.779 174.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -77.65 -39.76 44.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.851 0.834 . . . . 0.0 110.98 -175.609 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.89 33.44 4.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.875 0.845 . . . . 0.0 111.364 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -86.62 -58.2 2.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.005 0.907 . . . . 0.0 111.044 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.4 -63.07 0.8 Allowed Glycine 0 C--N 1.32 -0.337 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.27 -103.09 0.53 Allowed Glycine 0 C--N 1.32 -0.322 0 CA-C-O 122.732 1.185 . . . . 0.0 110.78 -175.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -131.88 -47.07 0.94 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.958 0.885 . . . . 0.0 110.995 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -128.01 2.07 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.21 166.97 21.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.751 0.786 . . . . 0.0 110.912 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 . . . . . 1 C--O 1.381 8.023 0 CA-C-O 121.811 0.815 . . . . 0.0 110.758 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 122.845 1.307 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 t80 72.42 88.95 0.1 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.127 1.441 . . . . 0.0 109.404 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -75.0 -103.95 0.01 OUTLIER 'General case' 0 C--O 1.251 1.166 0 CA-C-N 114.856 -1.065 . . . . 0.0 112.376 -170.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.93 -114.94 0.73 Allowed Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.58 -1.325 . . . . 0.0 111.818 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 43.8 m-20 -71.25 -10.7 60.19 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 122.032 -0.687 . . . . 0.0 112.648 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.77 47.79 0.03 OUTLIER Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.248 -0.908 . . . . 0.0 111.055 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 16' ' ' VAL . 87.5 t -106.98 92.94 2.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.944 0.878 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 72.7 1.74 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 111.166 -174.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 10' ' ' THR . 10.2 t -70.64 138.14 50.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.087 0.946 . . . . 0.0 110.918 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 9' ' ' CYS . 9.5 p -159.04 -114.3 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.193 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 26.7 10.26 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 121.387 -0.821 . . . . 0.0 111.642 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -136.41 18.75 3.14 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.391 -0.818 . . . . 0.0 111.795 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.66 139.97 3.5 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.2 m -56.3 102.51 0.08 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.826 0.822 . . . . 0.0 110.293 -174.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -101.61 80.6 2.07 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.084 0.945 . . . . 0.0 110.99 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 7' ' ' VAL . 97.3 t -66.51 100.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.774 0.797 . . . . 0.0 110.858 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -59.22 93.04 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.079 0.942 . . . . 0.0 110.794 176.157 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -59.32 -20.28 53.21 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.58 9.4 Favored Glycine 0 N--CA 1.464 0.534 0 O-C-N 121.45 -0.781 . . . . 0.0 111.332 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.9 mp0 -66.38 -22.55 66.25 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.717 -0.872 . . . . 0.0 112.838 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -80.62 -37.44 31.11 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.129 0.966 . . . . 0.0 110.893 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.3 t80 -54.84 -54.27 44.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.336 1.065 . . . . 0.0 110.714 174.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -36.84 77.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.919 0.866 . . . . 0.0 110.99 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -50.6 -49.32 56.8 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.278 1.037 . . . . 0.0 110.911 174.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.678 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -92.99 1.17 70.24 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.309 -0.869 . . . . 0.0 114.049 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 22' ' ' PHE . 58.5 t -71.83 -37.42 61.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 125.24 2.448 . . . . 0.0 106.719 165.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -72.67 -30.15 64.02 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 112.81 -1.995 . . . . 0.0 110.469 170.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.678 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.07 2.04 56.62 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.094 173.609 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -89.99 -43.75 10.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.105 0.955 . . . . 0.0 110.161 174.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 -90.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.949 0.881 . . . . 0.0 110.174 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 41.72 48.71 3.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.381 1.562 . . . . 0.0 111.412 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.71 39.84 2.64 Favored Glycine 0 CA--C 1.51 -0.23 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.508 -174.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.66 0.19 12.24 Favored Glycine 0 C--O 1.243 0.659 0 O-C-N 122.035 -0.685 . . . . 0.0 113.374 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.69 -58.95 3.77 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.19 -1.183 . . . . 0.0 111.33 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.52 -147.45 11.0 Favored Glycine 0 N--CA 1.461 0.354 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.75 130.82 33.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.101 0.953 . . . . 0.0 110.97 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 t90 . . . . . 1 C--O 1.38 7.966 0 CA-C-O 121.999 0.904 . . . . 0.0 110.978 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 122.0 0.905 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -145.74 95.52 2.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.74 0.781 . . . . 0.0 111.308 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -57.78 -73.33 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.033 0.92 . . . . 0.0 110.934 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 -112.01 0.64 Allowed Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.97 0.761 . . . . 0.0 111.264 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.602 ' O ' HG23 ' A' ' 7' ' ' VAL . 73.2 m-20 -73.22 91.51 1.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.495 0.664 . . . . 0.0 111.19 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 49.7 25.33 6.71 Favored Glycine 0 C--N 1.319 -0.374 0 CA-C-O 121.689 0.605 . . . . 0.0 111.915 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.07 HG22 HG23 ' A' ' 16' ' ' VAL . 55.8 t -97.33 87.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 121.557 -0.967 . . . . 0.0 110.986 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 91.82 4.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.5 0.667 . . . . 0.0 110.527 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.38 -176.2 3.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 123.068 1.413 . . . . 0.0 111.989 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 50.62 79.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.356 175.579 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -164.61 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.602 1.191 . . . . 0.0 110.791 174.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -119.13 -0.9 10.98 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.419 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.27 104.16 0.36 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.27 130.58 46.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.048 0.928 . . . . 0.0 111.016 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -169.15 136.6 1.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.894 0.855 . . . . 0.0 110.887 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.07 HG23 HG22 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -78.57 171.42 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 123.275 1.512 . . . . 0.0 112.034 -174.16 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.83 73.39 1.2 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.898 1.332 . . . . 0.0 109.6 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 26.0 m95 -52.41 -17.81 1.36 Allowed 'General case' 0 C--O 1.247 0.954 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.27 -49.15 9.73 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -14.86 53.38 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.081 -0.658 . . . . 0.0 112.681 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.36 23.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.974 0.892 . . . . 0.0 110.961 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.838 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 t80 -67.75 -42.3 82.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.796 0.808 . . . . 0.0 110.686 174.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -63.56 -42.22 98.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.981 0.896 . . . . 0.0 111.065 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.85 74.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.879 0.847 . . . . 0.0 110.927 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.86 -29.75 58.7 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.5 t -64.86 -54.98 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.878 1.323 . . . . 0.0 110.883 174.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -50.42 -42.45 53.88 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.927 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -71.32 -29.38 64.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.821 0.82 . . . . 0.0 111.089 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.812 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.74 -37.07 83.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 111.05 174.279 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 25.51 3.02 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.759 -0.588 . . . . 0.0 111.979 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -127.12 31.65 5.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.347 1.07 . . . . 0.0 110.619 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.65 70.84 0.37 Allowed Glycine 0 N--CA 1.46 0.265 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.77 -1.64 82.53 Favored Glycine 0 C--O 1.241 0.56 0 O-C-N 122.187 -0.596 . . . . 0.0 113.644 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t30 50.59 76.71 0.14 Allowed 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.288 -1.124 . . . . 0.0 110.788 -174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.94 154.1 6.1 Favored Glycine 0 N--CA 1.46 0.24 0 CA-C-O 121.973 0.763 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.54 99.14 6.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.901 0.858 . . . . 0.0 110.976 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 p90 . . . . . 1 C--O 1.38 7.959 0 CA-C-O 122.071 0.938 . . . . 0.0 110.95 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.968 0.89 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' CE1' ' NE2' ' A' ' 8' ' ' HIS . 23.7 t80 -107.29 78.27 1.21 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.571 0.7 . . . . 0.0 110.578 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' HB2' HG12 ' A' ' 7' ' ' VAL . 6.3 m-85 -46.29 117.44 1.57 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.861 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 5' ' ' ASN . . . -45.91 139.97 6.03 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.7 t-20 89.15 48.21 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.446 1.117 . . . . 0.0 111.122 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.634 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . 62.48 18.94 59.48 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.67 HG22 HG23 ' A' ' 16' ' ' VAL . 16.9 t -99.46 149.63 5.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.203 -1.175 . . . . 0.0 111.271 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.416 ' NE2' ' CE1' ' A' ' 2' ' ' TYR . 0.9 OUTLIER -135.65 92.54 2.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.024 0.916 . . . . 0.0 111.042 175.134 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.08 158.28 15.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.411 1.101 . . . . 0.0 111.09 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 72.42 46.71 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.857 1.313 . . . . 0.0 110.648 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE3' ' HB3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -149.57 81.91 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.438 1.59 . . . . 0.0 110.065 174.338 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p 46.6 30.76 1.19 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.262 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.49 134.55 4.58 Favored Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 124.9 10.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 174.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -141.42 121.54 13.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.982 0.896 . . . . 0.0 110.918 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.67 HG23 HG22 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -98.14 151.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.492 1.139 . . . . 0.0 111.649 -174.424 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.94 70.9 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.944 0.878 . . . . 0.0 109.958 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.576 ' NE1' HG11 ' A' ' 16' ' ' VAL . 21.8 m95 -48.28 -23.92 1.04 Allowed 'General case' 0 C--O 1.247 0.926 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.637 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -77.61 -55.22 4.3 Favored Glycine 0 N--CA 1.464 0.511 0 CA-C-O 122.374 0.985 . . . . 0.0 110.85 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -58.23 8.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.859 1.79 . . . . 0.0 110.023 -176.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . . . -41.98 -43.83 3.28 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.378 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.637 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 7.7 t80 -52.22 -54.84 25.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.453 1.121 . . . . 0.0 110.784 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -62.76 -33.16 74.59 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 111.011 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.68 55.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.297 1.046 . . . . 0.0 110.915 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.14 -25.14 71.85 Favored Glycine 0 C--O 1.238 0.354 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.625 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.56 -44.28 79.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.045 0.926 . . . . 0.0 110.88 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.01 -39.74 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.686 0.755 . . . . 0.0 111.079 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -81.34 -29.78 34.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.657 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.2 -64.48 0.9 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.9 . . . . 0.0 110.77 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.59 -55.71 5.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.748 1.261 . . . . 0.0 110.802 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 40.89 76.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 123.601 1.667 . . . . 0.0 110.594 -174.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.11 -34.07 88.94 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.701 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.95 104.01 0.54 Allowed Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.65 1.139 . . . . 0.0 110.819 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -97.39 -33.18 11.51 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.933 0.873 . . . . 0.0 110.898 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.73 -145.52 13.32 Favored Glycine 0 C--N 1.32 -0.309 0 CA-C-O 122.193 0.885 . . . . 0.0 111.591 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -99.51 84.44 2.97 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.888 0.851 . . . . 0.0 111.24 -174.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.6 t90 . . . . . 1 C--O 1.38 7.921 0 CA-C-O 122.061 0.934 . . . . 0.0 110.902 -174.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.932 0.872 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.594 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 1.3 m-85 -128.96 156.96 42.94 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.812 0.815 . . . . 0.0 111.099 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.594 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.5 m-30 -132.12 27.4 4.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.497 0.665 . . . . 0.0 111.462 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 158.27 0.58 Allowed Glycine 0 C--N 1.32 -0.334 0 CA-C-O 122.191 0.884 . . . . 0.0 111.432 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 m120 57.61 40.32 26.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.977 0.894 . . . . 0.0 111.043 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.28 48.89 71.77 Favored Glycine 0 C--N 1.321 -0.283 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 16' ' ' VAL . 55.4 t -111.68 136.06 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.881 0.848 . . . . 0.0 111.027 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.08 128.9 18.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.065 0.936 . . . . 0.0 111.054 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -89.7 99.67 12.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 110.917 -176.638 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -166.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.005 0.907 . . . . 0.0 110.934 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -73.18 -33.15 65.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.672 0.749 . . . . 0.0 111.185 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -105.85 25.86 10.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.691 -0.63 . . . . 0.0 112.252 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.65 19.42 Favored Glycine 0 N--CA 1.462 0.417 0 O-C-N 121.329 -0.857 . . . . 0.0 111.312 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -119.69 135.72 54.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.076 0.941 . . . . 0.0 111.12 -174.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.41 136.96 26.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 -174.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 7' ' ' VAL . 62.8 t -94.28 111.92 26.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.475 0.655 . . . . 0.0 111.414 -174.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.14 107.19 3.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.769 0.795 . . . . 0.0 110.384 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -82.5 26.43 0.56 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.71 -51.83 0.19 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.54 -17.77 64.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.542 0.686 . . . . 0.0 112.406 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.21 35.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.948 0.88 . . . . 0.0 110.952 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.747 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.0 t80 -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.793 0.806 . . . . 0.0 110.81 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -69.63 -35.22 75.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.981 0.896 . . . . 0.0 111.1 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.957 0.884 . . . . 0.0 111.075 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.39 -28.58 57.54 Favored Glycine 0 C--O 1.238 0.38 0 CA-C-O 121.688 0.604 . . . . 0.0 111.648 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 22' ' ' PHE . 94.2 t -63.49 -55.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.644 1.211 . . . . 0.0 110.612 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -46.86 -47.96 21.17 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.905 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -44.01 84.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.093 0.949 . . . . 0.0 110.863 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.92 -35.28 76.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.824 0.821 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 35.32 3.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.084 0.945 . . . . 0.0 111.137 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.29 -35.72 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.84 0.829 . . . . 0.0 111.107 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.8 58.5 0.02 OUTLIER Glycine 0 N--CA 1.461 0.34 0 CA-C-O 122.046 0.803 . . . . 0.0 111.119 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 12.57 1.38 Allowed Glycine 0 C--N 1.32 -0.318 0 O-C-N 122.091 -0.652 . . . . 0.0 113.859 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.33 -67.75 0.47 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.849 0.833 . . . . 0.0 111.301 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.7 130.04 2.15 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.002 0.779 . . . . 0.0 111.184 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -134.05 45.61 2.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.046 0.927 . . . . 0.0 110.888 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--O 1.381 8.003 0 CA-C-O 121.96 0.886 . . . . 0.0 111.08 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.96 0.886 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.738 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 37.5 t80 -138.08 86.43 2.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.677 0.751 . . . . 0.0 111.233 -175.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.722 ' CE1' ' HB2' ' A' ' 9' ' ' CYS . 82.2 m-85 -55.78 145.57 23.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.092 0.948 . . . . 0.0 110.773 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.82 145.38 33.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 122.054 0.808 . . . . 0.0 111.814 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 75.2 46.98 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.04 0.924 . . . . 0.0 111.542 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 58.81 10.99 Favored Glycine 0 C--O 1.238 0.361 0 CA-C-O 121.926 0.737 . . . . 0.0 113.485 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.71 ' CG2' HG23 ' A' ' 16' ' ' VAL . 2.6 t -129.92 130.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.6 -0.941 . . . . 0.0 110.676 173.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.738 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -121.91 109.3 14.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.827 0.822 . . . . 0.0 111.86 175.114 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.722 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 1.2 m -90.47 91.16 8.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.512 171.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 11' ' ' LYS . 2.4 t -126.11 -112.13 0.29 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -170.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.556 ' HG3' ' H ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -41.05 -61.14 1.04 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.245 1.021 . . . . 0.0 112.929 -170.279 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.556 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 66.2 p 176.62 37.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.089 0.947 . . . . 0.0 111.026 -174.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.9 0.33 Allowed Glycine 0 CA--C 1.522 0.478 0 CA-C-O 122.755 1.197 . . . . 0.0 112.647 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 82.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.471 -0.865 . . . . 0.0 110.795 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.1 p -153.08 179.69 8.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.318 1.056 . . . . 0.0 111.711 -173.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG23 ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -110.88 152.98 12.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.878 1.323 . . . . 0.0 112.755 -174.246 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.08 75.81 1.01 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.992 1.377 . . . . 0.0 109.003 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CE2' HG11 ' A' ' 16' ' ' VAL . 24.1 m95 -49.19 -20.5 0.61 Allowed 'General case' 0 C--O 1.248 0.98 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -171.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -53.66 5.76 Favored Glycine 0 C--N 1.317 -0.496 0 CA-C-O 122.327 0.959 . . . . 0.0 110.746 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.32 -20.13 65.9 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.902 -0.764 . . . . 0.0 112.844 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.89 -36.33 31.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.004 0.907 . . . . 0.0 110.625 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.81 -38.45 85.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.965 0.888 . . . . 0.0 110.581 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -62.69 -45.54 92.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.815 0.817 . . . . 0.0 110.961 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -41.57 65.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.995 0.902 . . . . 0.0 110.947 174.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.49 58.63 Favored Glycine 0 C--O 1.238 0.385 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.991 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.08 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.178 0.989 . . . . 0.0 110.875 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -43.89 91.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.843 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -72.87 -28.31 62.42 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.646 0.736 . . . . 0.0 111.354 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.4 -49.22 35.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.879 0.847 . . . . 0.0 111.057 177.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.51 0.87 36.04 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -54.15 -53.38 54.13 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.181 -0.949 . . . . 0.0 110.851 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.37 67.28 1.87 Allowed Glycine 0 C--N 1.321 -0.271 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.75 -102.49 0.64 Allowed Glycine 0 C--N 1.319 -0.369 0 CA-C-O 122.909 1.283 . . . . 0.0 110.642 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -41.68 19.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.034 0.921 . . . . 0.0 111.354 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.44 -119.45 4.29 Favored Glycine 0 C--N 1.32 -0.345 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -76.38 -7.25 54.62 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.767 -0.843 . . . . 0.0 112.707 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER . . . . . 1 C--O 1.382 8.028 0 CA-C-O 121.855 0.836 . . . . 0.0 111.471 -178.437 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 tttt . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.952 0.882 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.505 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -71.81 130.83 42.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.831 0.824 . . . . 0.0 110.947 174.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.623 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 23.1 m-85 -119.49 79.03 1.37 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.692 0.758 . . . . 0.0 111.146 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.91 -114.5 4.22 Favored Glycine 0 C--N 1.319 -0.385 0 CA-C-O 122.045 0.803 . . . . 0.0 111.466 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.482 ' OD1' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -61.48 -30.31 70.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.332 1.063 . . . . 0.0 112.577 -175.729 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.505 ' HA2' ' CE1' ' A' ' 2' ' ' TYR . . . 135.79 41.59 0.13 Allowed Glycine 0 C--O 1.239 0.453 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.542 -176.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.859 HG13 HG22 ' A' ' 16' ' ' VAL . 71.5 t -92.66 68.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.533 1.159 . . . . 0.0 110.062 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -64.54 167.16 7.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 122.141 0.972 . . . . 0.0 111.331 -172.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.27 100.66 3.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.98 0.895 . . . . 0.0 110.741 174.391 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -91.11 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 123.107 1.432 . . . . 0.0 110.67 -175.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.623 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -161.94 -41.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.547 1.165 . . . . 0.0 110.487 -174.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.623 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 88.5 p -77.63 -4.25 45.04 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.276 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.15 157.3 7.26 Favored Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -63.04 156.37 24.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.982 0.896 . . . . 0.0 111.017 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -154.55 79.28 1.09 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.051 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.859 HG22 HG13 ' A' ' 7' ' ' VAL . 41.9 t -62.31 150.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 122.114 0.959 . . . . 0.0 111.135 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.6 t-20 -116.82 90.15 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.994 0.902 . . . . 0.0 110.692 174.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -68.43 -2.28 8.27 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 -41.28 2.53 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.195 -0.941 . . . . 0.0 111.087 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.0 mt-10 -65.14 -16.18 63.22 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.009 -0.701 . . . . 0.0 112.81 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.44 -36.6 20.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.034 0.921 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.868 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.65 -49.87 74.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.19 0.995 . . . . 0.0 110.714 174.734 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -38.11 86.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.819 0.819 . . . . 0.0 111.167 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.618 ' HA ' ' CD2' ' A' ' 27' ' ' HIS . . . -52.13 -48.88 64.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.529 1.157 . . . . 0.0 110.948 176.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.4 -21.07 76.11 Favored Glycine 0 C--O 1.24 0.494 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.42 -176.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 22' ' ' PHE . 94.7 t -66.72 -58.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 174.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.618 ' CD2' ' HA ' ' A' ' 24' ' ' ALA . 5.4 p80 -61.6 -26.95 68.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.382 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -33.2 62.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.542 1.163 . . . . 0.0 110.263 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.778 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.91 -39.18 91.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.902 0.858 . . . . 0.0 110.74 174.068 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.05 29.92 2.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.435 0.636 . . . . 0.0 111.668 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -139.7 60.23 1.57 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.003 0.906 . . . . 0.0 110.873 174.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.41 -85.99 0.04 OUTLIER Glycine 0 N--CA 1.461 0.342 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.27 -104.56 1.71 Allowed Glycine 0 C--N 1.32 -0.346 0 CA-C-O 122.962 1.312 . . . . 0.0 110.408 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.9 33.97 1.27 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 123.922 0.889 . . . . 0.0 111.912 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.27 173.08 51.6 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-O 122.031 0.795 . . . . 0.0 111.376 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -140.28 159.13 42.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.94 0.876 . . . . 0.0 111.023 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.7 t90 . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.093 0.949 . . . . 0.0 110.965 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.009 0.909 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.661 ' HE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -92.99 152.24 19.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 174.375 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -124.9 -78.43 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.611 0.719 . . . . 0.0 111.302 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.66 -146.28 17.24 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.085 0.825 . . . . 0.0 111.866 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -16.87 61.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.798 -0.825 . . . . 0.0 112.779 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.661 ' HA2' ' HE1' ' A' ' 2' ' ' TYR . . . 174.25 40.68 0.05 OUTLIER Glycine 0 C--N 1.319 -0.411 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -175.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 16' ' ' VAL . 54.4 t -109.37 147.56 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.922 0.867 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.7 79.17 1.88 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.076 0.941 . . . . 0.0 110.916 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.89 130.74 45.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.291 1.043 . . . . 0.0 111.004 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.92 -84.3 0.66 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.046 1.403 . . . . 0.0 110.623 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 -37.86 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.754 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.9 p -122.61 30.6 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.668 0.747 . . . . 0.0 111.199 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.07 -97.04 0.37 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-O 122.914 1.285 . . . . 0.0 110.709 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m 62.2 98.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.998 1.38 . . . . 0.0 111.688 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 p -166.07 129.9 2.15 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.755 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 7' ' ' VAL . 36.1 t -93.71 116.73 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.866 0.841 . . . . 0.0 111.6 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.585 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -78.85 84.66 4.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.164 0.983 . . . . 0.0 110.265 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -49.41 -25.67 2.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.15 -41.8 6.12 Favored Glycine 0 N--CA 1.464 0.517 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -69.03 -9.09 50.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.678 -0.895 . . . . 0.0 112.709 174.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.924 0.868 . . . . 0.0 110.944 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.857 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.2 t80 -68.78 -35.09 76.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.981 0.896 . . . . 0.0 110.977 174.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -69.62 -35.8 75.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.854 0.835 . . . . 0.0 111.008 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.58 98.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.074 0.94 . . . . 0.0 110.973 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -28.77 67.44 Favored Glycine 0 C--O 1.238 0.383 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 22' ' ' PHE . 86.6 t -66.53 -54.78 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 122.874 1.321 . . . . 0.0 110.482 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -45.62 -44.3 13.01 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.487 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -78.03 -34.05 50.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.02 0.914 . . . . 0.0 111.15 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -49.86 76.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.854 0.835 . . . . 0.0 110.913 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.81 29.31 3.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.529 0.68 . . . . 0.0 111.471 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -80.66 -31.94 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.109 0.957 . . . . 0.0 110.748 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.06 -41.26 2.28 Favored Glycine 0 CA--C 1.509 -0.322 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.94 22.91 77.23 Favored Glycine 0 N--CA 1.464 0.515 0 O-C-N 121.733 -0.863 . . . . 0.0 113.15 -174.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -49.2 -27.17 3.4 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.535 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.07 158.43 10.1 Favored Glycine 0 C--N 1.32 -0.322 0 CA-C-O 122.2 0.889 . . . . 0.0 111.58 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.35 82.94 3.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.911 0.863 . . . . 0.0 110.944 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 1 C--O 1.38 7.953 0 CA-C-O 122.327 1.061 . . . . 0.0 110.99 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.683 ' HD2' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.941 0.877 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.683 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 24.8 t80 -99.76 104.05 15.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.983 0.897 . . . . 0.0 111.122 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.736 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 62.7 m-85 -78.4 177.9 8.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.94 0.876 . . . . 0.0 110.957 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 161.31 37.39 Favored Glycine 0 C--N 1.32 -0.347 0 CA-C-O 122.133 0.852 . . . . 0.0 111.524 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 63.76 47.6 3.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.973 0.892 . . . . 0.0 111.155 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 52.81 39.49 Favored Glycine 0 C--N 1.32 -0.341 0 CA-C-O 121.806 0.67 . . . . 0.0 112.138 174.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.032 HG22 HG22 ' A' ' 16' ' ' VAL . 11.3 t -119.36 144.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.77 -0.841 . . . . 0.0 110.753 174.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -136.92 94.66 2.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.079 0.942 . . . . 0.0 111.467 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.736 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . 3.9 m -90.97 156.76 17.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 0.0 110.853 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.19 153.72 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.838 0.828 . . . . 0.0 110.778 -174.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.33 90.34 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.11 0.957 . . . . 0.0 110.568 -174.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p 79.24 0.42 2.32 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 124.632 1.173 . . . . 0.0 112.417 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.91 172.78 39.16 Favored Glycine 0 C--N 1.318 -0.424 0 O-C-N 120.93 -1.107 . . . . 0.0 111.532 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 m -72.04 135.34 46.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.651 0.738 . . . . 0.0 110.999 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.75 138.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.057 0.932 . . . . 0.0 111.235 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.032 HG22 HG22 ' A' ' 7' ' ' VAL . 93.3 t -96.79 135.88 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.951 0.881 . . . . 0.0 110.966 -175.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.98 -18.95 65.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.759 ' H ' HG12 ' A' ' 16' ' ' VAL . 83.5 m95 27.09 44.51 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 124.977 1.311 . . . . 0.0 112.928 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -51.01 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.42 -20.05 66.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.352 1.073 . . . . 0.0 112.019 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -72.19 -47.95 46.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.104 0.954 . . . . 0.0 110.798 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.53 -46.51 63.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.076 0.941 . . . . 0.0 110.895 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.488 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.1 t -71.03 -29.29 65.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.82 0.819 . . . . 0.0 111.187 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -61.09 -41.16 96.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.026 0.917 . . . . 0.0 110.92 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.56 -41.08 21.11 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -56.2 -45.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 122.027 0.917 . . . . 0.0 110.979 174.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -55.64 -49.48 72.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.961 0.886 . . . . 0.0 110.983 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.23 -37.22 69.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.988 0.899 . . . . 0.0 110.913 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.94 -36.24 80.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.898 0.856 . . . . 0.0 110.912 177.247 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.86 61.66 0.73 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.756 1.265 . . . . 0.0 110.974 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -130.13 67.23 1.47 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.01 -34.03 57.76 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.67 10.41 57.89 Favored Glycine 0 N--CA 1.46 0.275 0 O-C-N 121.606 -0.938 . . . . 0.0 113.539 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.31 3.51 12.86 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 121.767 -0.843 . . . . 0.0 112.968 -173.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.96 -162.04 23.51 Favored Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.098 -1.001 . . . . 0.0 111.936 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.6 29.1 3.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.858 0.837 . . . . 0.0 110.854 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.2 t90 . . . . . 1 C--O 1.381 7.979 0 CA-C-O 121.922 0.868 . . . . 0.0 111.138 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.675 ' CG ' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.014 0.911 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.679 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 2.7 t80 -71.2 157.57 37.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.675 0.75 . . . . 0.0 111.056 -175.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.679 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 6.5 m-30 -133.94 63.58 1.62 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.063 0.935 . . . . 0.0 111.512 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' A' ' 2' ' ' TYR . . . 70.59 -112.35 4.24 Favored Glycine 0 CA--C 1.508 -0.353 0 CA-C-O 122.417 1.009 . . . . 0.0 113.787 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.588 ' OD1' ' HB1' ' A' ' 21' ' ' ALA . 5.5 t-20 -50.45 -26.53 5.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -173.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 2' ' ' TYR . . . 129.9 66.9 0.11 Allowed Glycine 0 C--N 1.319 -0.365 0 CA-C-O 122.237 0.91 . . . . 0.0 111.036 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.978 HG22 ' CG2' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -125.62 94.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 122.715 1.245 . . . . 0.0 110.478 176.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.461 ' NE2' ' CE1' ' A' ' 2' ' ' TYR . 1.9 m80 -92.99 83.94 4.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.093 -174.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.668 ' SG ' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -109.77 139.95 44.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.894 0.854 . . . . 0.0 110.834 174.393 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 3.0 p -122.55 24.59 9.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.369 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' THR . 1.4 tttp 93.53 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.625 1.57 . . . . 0.0 111.885 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -76.33 -8.31 56.84 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.853 -174.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.64 112.37 0.26 Allowed Glycine 0 C--N 1.319 -0.407 0 O-C-N 121.205 -0.934 . . . . 0.0 111.079 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 41.3 t -92.39 148.77 21.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.71 0.766 . . . . 0.0 110.852 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -144.77 71.92 1.32 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.145 0.974 . . . . 0.0 110.935 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.978 ' CG2' HG22 ' A' ' 7' ' ' VAL . 57.4 t -58.47 124.62 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.864 0.84 . . . . 0.0 110.956 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -82.95 81.36 8.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.181 0.991 . . . . 0.0 110.647 174.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -61.29 -15.34 34.43 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.48 -48.8 3.87 Favored Glycine 0 N--CA 1.464 0.513 0 O-C-N 121.31 -0.869 . . . . 0.0 111.454 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -14.16 40.88 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.666 -0.902 . . . . 0.0 112.897 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.588 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -81.91 -43.45 18.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.845 0.831 . . . . 0.0 111.07 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -60.92 -42.13 97.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.967 0.889 . . . . 0.0 110.867 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -69.27 -34.81 75.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.997 0.903 . . . . 0.0 111.052 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.68 87.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.987 0.899 . . . . 0.0 111.008 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.95 -37.15 16.67 Favored Glycine 0 C--N 1.32 -0.322 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.57 -34.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.982 0.896 . . . . 0.0 110.871 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.57 -55.33 28.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.957 0.884 . . . . 0.0 110.817 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -55.47 -34.64 64.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.007 0.908 . . . . 0.0 110.979 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.95 -40.95 64.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.882 . . . . 0.0 111.015 -178.696 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.82 33.69 3.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.711 0.767 . . . . 0.0 111.545 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.03 -43.89 5.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.972 0.892 . . . . 0.0 110.896 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.52 45.15 55.48 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 1.61 88.46 Favored Glycine 0 C--O 1.242 0.651 0 O-C-N 121.965 -0.726 . . . . 0.0 113.733 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -94.4 -35.46 12.34 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.267 -1.137 . . . . 0.0 111.091 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.14 -112.17 3.1 Favored Glycine 0 CA--C 1.509 -0.295 0 CA-C-O 121.966 0.759 . . . . 0.0 111.846 -174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.77 143.53 31.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.832 -0.805 . . . . 0.0 111.088 -174.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.3 t90 . . . . . 1 C--O 1.38 7.937 0 CA-C-O 121.946 0.879 . . . . 0.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.007 0.908 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.75 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 4.8 t80 -73.08 172.78 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.909 0.862 . . . . 0.0 111.053 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.564 ' HB2' HG12 ' A' ' 7' ' ' VAL . 11.8 m-85 -148.85 175.73 11.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.893 0.854 . . . . 0.0 110.939 175.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 150.58 41.79 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-O 122.049 0.805 . . . . 0.0 111.22 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 70.39 37.31 1.56 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.861 0.839 . . . . 0.0 110.927 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.28 43.29 64.52 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.897 0.721 . . . . 0.0 111.439 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.908 HG22 HG22 ' A' ' 16' ' ' VAL . 1.5 t -100.55 151.4 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.996 0.903 . . . . 0.0 110.999 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.75 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -148.22 98.15 2.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.803 0.811 . . . . 0.0 111.063 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.604 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 7.0 m -86.79 137.7 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.712 0.768 . . . . 0.0 110.679 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 11' ' ' LYS . 18.7 m -147.66 -101.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.133 0.492 . . . . 0.0 111.865 -173.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -45.1 -54.19 7.06 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.258 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.1 p -173.54 76.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.18 -0.95 . . . . 0.0 111.241 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 126.51 -146.12 16.12 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -174.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.7 m -137.69 147.11 44.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.203 1.002 . . . . 0.0 111.241 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.1 94.14 3.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.991 0.9 . . . . 0.0 110.786 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.908 HG22 HG22 ' A' ' 7' ' ' VAL . 9.0 t -76.63 126.9 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 111.832 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -84.82 93.39 8.48 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.018 0.913 . . . . 0.0 110.225 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -70.39 2.27 4.06 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.44 -34.96 5.12 Favored Glycine 0 C--N 1.318 -0.469 0 O-C-N 121.063 -1.023 . . . . 0.0 111.512 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -75.83 -22.41 56.3 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.618 -0.931 . . . . 0.0 112.638 177.036 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -74.7 -36.82 62.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.522 1.153 . . . . 0.0 110.126 173.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -54.34 -64.61 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.315 1.055 . . . . 0.0 110.422 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -56.13 -34.27 65.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.349 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -50.46 -64.31 0.85 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.323 1.058 . . . . 0.0 110.873 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.706 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -87.85 -1.38 82.63 Favored Glycine 0 C--O 1.242 0.631 0 O-C-N 121.458 -0.776 . . . . 0.0 113.905 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -28.83 29.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 123.262 1.506 . . . . 0.0 107.615 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -81.91 -25.93 34.53 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.202 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.706 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -75.35 -28.26 59.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.704 0.764 . . . . 0.0 110.127 172.245 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -76.64 -44.82 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.026 0.917 . . . . 0.0 110.756 176.639 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 35.62 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.017 0.913 . . . . 0.0 111.123 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.45 -71.04 0.45 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.075 0.94 . . . . 0.0 110.963 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.31 81.92 0.33 Allowed Glycine 0 C--N 1.32 -0.332 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -174.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.07 87.52 0.11 Allowed Glycine 0 C--N 1.32 -0.326 0 CA-C-O 123.141 1.412 . . . . 0.0 110.553 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.75 -32.12 22.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.325 -0.937 . . . . 0.0 111.079 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.31 -47.41 43.02 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.93 147.19 12.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.911 0.862 . . . . 0.0 110.834 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 1 C--O 1.38 7.94 0 CA-C-O 121.998 0.904 . . . . 0.0 110.855 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.528 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 122.18 0.99 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.5 t80 65.03 146.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.391 1.091 . . . . 0.0 110.961 -174.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 20.1 m-85 -145.51 172.22 13.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.808 0.813 . . . . 0.0 110.873 -175.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 1.68 18.99 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.307 0.883 . . . . 0.0 115.307 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.24 38.22 3.66 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.3 -1.118 . . . . 0.0 110.743 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.97 36.26 19.98 Favored Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.899 0.722 . . . . 0.0 111.576 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.65 HG22 HG22 ' A' ' 16' ' ' VAL . 9.0 t -95.77 93.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 122.04 0.924 . . . . 0.0 110.916 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -95.04 108.14 20.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.296 1.046 . . . . 0.0 111.251 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 122.57 43.59 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.9 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.17 159.92 41.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.28 1.038 . . . . 0.0 111.888 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 4.4 ptmt 48.61 45.09 21.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.33 1.062 . . . . 0.0 112.097 173.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p 53.97 75.21 0.28 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.147 1.451 . . . . 0.0 110.276 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.73 162.28 10.83 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 157.8 33.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.869 1.319 . . . . 0.0 111.835 -174.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 83.68 1.6 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.144 0.973 . . . . 0.0 110.342 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 HG22 ' A' ' 7' ' ' VAL . 96.8 t -71.7 145.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.698 1.237 . . . . 0.0 112.3 -173.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -95.67 107.75 19.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.133 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -76.12 11.53 1.45 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.56 -46.58 1.64 Allowed Glycine 0 C--N 1.317 -0.513 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -27.17 69.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.374 1.083 . . . . 0.0 112.451 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 -32.86 48.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.068 0.937 . . . . 0.0 110.908 177.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.846 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -56.94 -57.09 14.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.433 1.111 . . . . 0.0 110.64 174.373 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -42.53 88.9 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.761 0.791 . . . . 0.0 111.146 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -52.6 -50.12 63.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.212 1.006 . . . . 0.0 110.887 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.61 -19.85 72.67 Favored Glycine 0 C--O 1.241 0.554 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.766 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 22' ' ' PHE . 85.5 t -68.64 -61.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 122.246 1.022 . . . . 0.0 111.356 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.514 ' CD2' ' HA ' ' A' ' 24' ' ' ALA . 4.0 p80 -58.84 -26.41 64.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.295 176.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 2.7 ttm180 -72.48 -37.33 68.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.256 1.027 . . . . 0.0 110.31 173.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -58.42 -37.45 75.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.807 0.813 . . . . 0.0 110.47 174.294 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.7 42.38 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.398 1.094 . . . . 0.0 110.985 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -80.69 -43.93 19.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.087 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.53 -38.55 51.62 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.91 104.96 2.95 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.629 1.127 . . . . 0.0 110.878 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -118.58 -40.79 2.86 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.936 0.874 . . . . 0.0 111.042 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.0 106.98 0.65 Allowed Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -90.55 161.63 15.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.972 0.891 . . . . 0.0 111.054 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 C--O 1.382 8.046 0 CA-C-O 121.788 0.804 . . . . 0.0 111.187 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.685 0.755 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -91.33 -5.57 54.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.473 ' HE2' ' HB2' ' A' ' 9' ' ' CYS . 5.4 m-85 51.48 -172.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 122.709 1.242 . . . . 0.0 111.951 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -177.55 22.17 Favored Glycine 0 N--CA 1.46 0.283 0 O-C-N 121.36 -0.837 . . . . 0.0 111.891 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 31.71 61.87 0.28 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 125.609 1.563 . . . . 0.0 113.287 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.05 56.8 14.94 Favored Glycine 0 CA--C 1.509 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.891 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG13 ' SG ' ' A' ' 9' ' ' CYS . 2.4 t -124.28 160.14 29.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 121.736 -0.861 . . . . 0.0 110.564 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.7 m80 -156.01 99.25 1.95 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.589 -0.694 . . . . 0.0 110.69 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 9.8 m -130.33 172.05 12.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.254 1.026 . . . . 0.0 111.223 -176.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.49 40.05 17.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.335 1.064 . . . . 0.0 110.901 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.647 ' HG3' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -132.33 -56.51 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.032 0.92 . . . . 0.0 110.941 174.714 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.647 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 88.0 p -148.09 33.9 0.82 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.052 0.93 . . . . 0.0 110.823 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.11 126.08 5.6 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 52.2 t -62.19 137.04 58.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.947 0.88 . . . . 0.0 110.953 -177.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.94 110.39 2.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.985 0.898 . . . . 0.0 111.091 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.69 HG11 ' NE1' ' A' ' 18' ' ' TRP . 4.5 p -81.45 122.07 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.79 0.805 . . . . 0.0 111.582 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.556 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -91.05 69.88 6.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.464 1.126 . . . . 0.0 109.967 172.576 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.69 ' NE1' HG11 ' A' ' 16' ' ' VAL . 22.4 m95 -47.4 -23.69 0.65 Allowed 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -174.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.42 -48.65 10.38 Favored Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mm-40 -54.69 -23.0 15.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 112.813 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.51 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.896 0.855 . . . . 0.0 110.924 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.858 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.7 t80 -62.99 -30.64 71.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.705 0.764 . . . . 0.0 110.929 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -73.0 -34.01 66.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.026 0.917 . . . . 0.0 111.072 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.88 85.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.969 0.89 . . . . 0.0 110.976 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.18 -28.68 65.81 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-O 121.695 0.608 . . . . 0.0 111.623 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 22' ' ' PHE . 80.0 t -66.07 -53.67 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.986 1.374 . . . . 0.0 110.649 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -47.56 -42.61 24.01 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.31 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.98 -38.69 82.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 110.931 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -59.26 -25.01 63.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.364 0.602 . . . . 0.0 111.547 175.764 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.13 37.93 1.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.26 1.029 . . . . 0.0 111.248 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -132.5 -67.58 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.982 0.896 . . . . 0.0 111.024 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.37 -51.42 1.13 Allowed Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.44 22.13 52.04 Favored Glycine 0 N--CA 1.464 0.525 0 CA-C-O 122.164 0.869 . . . . 0.0 112.931 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 48.39 69.26 0.57 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.718 1.247 . . . . 0.0 110.288 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.79 -88.8 0.01 OUTLIER Glycine 0 CA--C 1.508 -0.404 0 CA-C-N 115.191 -0.913 . . . . 0.0 114.705 -173.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -132.01 2.98 4.02 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.523 -0.987 . . . . 0.0 113.136 -174.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 1 C--O 1.379 7.904 0 CA-C-O 122.148 0.975 . . . . 0.0 110.542 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tttm . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.918 0.866 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.99 93.22 8.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.097 0.951 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' HB2' HG12 ' A' ' 7' ' ' VAL . 4.1 m-30 -76.68 175.58 9.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.954 0.883 . . . . 0.0 110.958 177.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 146.77 44.19 Favored Glycine 0 C--N 1.32 -0.329 0 CA-C-O 122.669 1.149 . . . . 0.0 112.522 -174.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 55.23 72.39 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.028 0.918 . . . . 0.0 111.822 174.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 46.07 44.57 14.27 Favored Glycine 0 C--O 1.24 0.493 0 CA-C-N 115.766 -0.652 . . . . 0.0 114.013 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.463 HG13 ' SG ' ' A' ' 14' ' ' CYS . 40.8 t -112.59 143.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.499 -1.001 . . . . 0.0 110.771 174.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.6 m80 -148.3 97.45 2.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 0.0 111.039 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 3.4 m -94.25 141.54 28.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.932 0.873 . . . . 0.0 110.641 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.493 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 2.6 p -130.15 54.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.884 0.85 . . . . 0.0 111.174 -174.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 50.07 28.17 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.461 0.648 . . . . 0.0 111.663 179.407 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 21.83 2.28 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.471 -0.768 . . . . 0.0 111.654 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' ' 14' ' ' CYS . . . 115.38 -107.49 1.75 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 1.0 OUTLIER 179.95 154.94 0.57 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.283 1.04 . . . . 0.0 111.139 174.156 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.6 66.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.93 0.871 . . . . 0.0 110.544 -175.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.659 HG11 ' NE1' ' A' ' 18' ' ' TRP . 9.6 p -52.4 122.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.022 0.915 . . . . 0.0 111.756 -174.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -91.09 70.37 6.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.321 1.058 . . . . 0.0 109.912 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.659 ' NE1' HG11 ' A' ' 16' ' ' VAL . 22.3 m95 -50.74 -19.92 1.1 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.81 18.7 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 174.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -15.38 16.0 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.084 -0.657 . . . . 0.0 112.677 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -35.58 29.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.913 0.864 . . . . 0.0 111.238 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -71.03 -34.68 71.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.124 0.964 . . . . 0.0 110.863 175.504 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.36 -31.23 62.32 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.058 0.932 . . . . 0.0 110.909 174.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -66.64 -32.48 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.987 0.898 . . . . 0.0 110.919 174.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.1 -32.16 53.32 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.2 t -63.77 -58.42 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.798 1.285 . . . . 0.0 110.625 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -48.51 -42.32 32.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.179 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -73.42 -30.68 63.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.945 0.879 . . . . 0.0 110.974 179.565 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.766 0.793 . . . . 0.0 110.766 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.35 -99.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.497 0.665 . . . . 0.0 110.458 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 52.16 34.18 13.83 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.79 1.757 . . . . 0.0 110.709 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.02 82.74 0.66 Allowed Glycine 0 N--CA 1.46 0.273 0 O-C-N 121.051 -1.031 . . . . 0.0 110.95 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.67 103.28 1.05 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-O 122.618 1.121 . . . . 0.0 110.813 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.35 36.52 4.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.046 0.927 . . . . 0.0 110.92 -175.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.02 -100.35 0.74 Allowed Glycine 0 C--N 1.32 -0.334 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.8 t80 32.13 70.6 0.09 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.606 1.163 . . . . 0.0 112.942 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--O 1.38 7.951 0 CA-C-O 122.102 0.953 . . . . 0.0 111.115 -174.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.539 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 121.883 0.849 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.649 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 24.9 t80 -75.72 168.14 20.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.977 0.894 . . . . 0.0 110.941 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.738 ' HB2' HG12 ' A' ' 7' ' ' VAL . 30.6 m-85 -145.96 -169.18 3.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.276 0.56 . . . . 0.0 110.768 -174.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.45 -169.47 0.1 OUTLIER Glycine 0 C--N 1.32 -0.328 0 CA-C-O 123.05 1.361 . . . . 0.0 113.01 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.616 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 29.9 m120 -46.68 125.44 7.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.262 1.029 . . . . 0.0 112.813 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.598 ' O ' HG13 ' A' ' 16' ' ' VAL . . . 47.43 41.05 16.72 Favored Glycine 0 C--O 1.241 0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.669 173.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.84 HG22 HG22 ' A' ' 16' ' ' VAL . 7.0 t -128.65 126.4 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 O-C-N 121.463 -1.022 . . . . 0.0 111.393 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.649 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -147.78 100.51 3.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.83 0.824 . . . . 0.0 111.336 179.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . 8.6 m -99.14 121.16 40.64 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.1 66.27 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.907 1.337 . . . . 0.0 112.147 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -176.66 29.77 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.712 1.72 . . . . 0.0 111.528 173.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p 59.72 51.42 6.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.701 1.715 . . . . 0.0 109.622 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.56 125.31 0.97 Allowed Glycine 0 N--CA 1.46 0.271 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.44 173.25 2.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.895 1.331 . . . . 0.0 111.826 -173.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.14 48.04 0.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.279 1.037 . . . . 0.0 110.598 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.84 HG22 HG22 ' A' ' 7' ' ' VAL . 26.0 t -52.33 122.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.016 0.912 . . . . 0.0 111.643 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.3 91.25 1.69 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.249 1.023 . . . . 0.0 110.428 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -60.36 -12.93 10.56 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.41 -52.15 4.34 Favored Glycine 0 N--CA 1.464 0.512 0 O-C-N 121.278 -0.889 . . . . 0.0 111.04 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.955 0.883 . . . . 0.0 112.814 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.737 0.779 . . . . 0.0 111.124 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.796 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.0 t80 -69.25 -40.12 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.023 0.916 . . . . 0.0 110.97 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -75.28 -31.19 60.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.973 0.892 . . . . 0.0 110.997 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.616 ' HB1' ' CG ' ' A' ' 5' ' ' ASN . . . -66.61 -39.6 88.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.872 0.844 . . . . 0.0 111.06 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.57 -34.98 59.61 Favored Glycine 0 N--CA 1.462 0.403 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.9 t -64.74 -55.13 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 123.032 1.396 . . . . 0.0 110.365 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -46.74 -40.78 14.08 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.186 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.68 80.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.976 0.893 . . . . 0.0 110.945 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.1 -32.37 61.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.766 0.793 . . . . 0.0 110.921 175.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.84 56.36 1.85 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.699 1.237 . . . . 0.0 111.224 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.237 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.952 0.882 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.453 ' CD1' ' CD2' ' A' ' 8' ' ' HIS . 13.1 m-30 -86.2 156.66 20.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.979 0.895 . . . . 0.0 111.154 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.404 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.1 m-30 -120.14 33.36 5.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.18 0.99 . . . . 0.0 110.774 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 -126.16 5.08 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.28 86.55 5.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.897 0.856 . . . . 0.0 111.015 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.84 49.93 8.85 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.519 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.871 HG22 HG22 ' A' ' 16' ' ' VAL . 96.3 t -101.22 82.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.621 -0.929 . . . . 0.0 110.991 174.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.453 ' CD2' ' CD1' ' A' ' 2' ' ' TYR . 3.1 m80 -90.22 115.4 27.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.092 0.949 . . . . 0.0 111.22 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.9 m -93.48 138.16 32.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.96 0.886 . . . . 0.0 110.879 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -177.19 4.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.068 0.937 . . . . 0.0 111.001 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -30.29 71.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.48 0.657 . . . . 0.0 111.171 174.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -87.11 -8.42 57.03 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.567 -0.708 . . . . 0.0 112.789 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.23 163.97 10.86 Favored Glycine 0 C--N 1.318 -0.471 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -77.9 136.58 38.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.008 0.909 . . . . 0.0 110.971 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 t -151.97 133.5 14.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.963 0.887 . . . . 0.0 110.984 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.871 HG22 HG22 ' A' ' 7' ' ' VAL . 42.5 t -96.9 111.93 27.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.086 0.946 . . . . 0.0 111.073 -174.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -69.16 94.06 0.65 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 0.0 110.982 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -72.76 2.41 6.69 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.44 -53.7 0.98 Allowed Glycine 0 N--CA 1.463 0.435 0 O-C-N 121.092 -1.005 . . . . 0.0 111.307 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.59 -18.64 60.21 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.715 -0.873 . . . . 0.0 112.727 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.05 17.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.825 0.821 . . . . 0.0 110.957 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -59.57 -46.46 88.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.189 0.995 . . . . 0.0 110.799 174.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -42.7 95.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.56 -48.91 57.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.368 1.08 . . . . 0.0 110.757 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -64.93 -47.48 82.21 Favored Glycine 0 N--CA 1.46 0.244 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -61.28 -30.51 48.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.211 -0.582 . . . . 0.0 111.279 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -35.97 82.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.168 0.985 . . . . 0.0 109.543 173.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 3.7 mtp180 -58.06 -68.3 0.26 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.699 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -50.17 -28.55 7.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.743 0.782 . . . . 0.0 111.687 174.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.62 48.66 1.08 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.657 1.218 . . . . 0.0 111.293 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 . . . . . 0 C--N 1.322 -0.587 0 CA-C-O 122.112 0.958 . . . . 0.0 110.586 174.419 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.716 ' HD2' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.463 0 CA-C-O 123.267 1.508 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.682 ' HD1' ' CD2' ' A' ' 8' ' ' HIS . 84.0 t80 -111.54 -3.61 15.07 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.516 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 49.56 24.32 1.12 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.327 -0.858 . . . . 0.0 112.243 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.484 ' HA2' ' CD2' ' A' ' 2' ' ' TYR . . . 18.97 81.92 0.01 OUTLIER Glycine 0 C--N 1.319 -0.408 0 C-N-CA 125.138 1.351 . . . . 0.0 116.376 -174.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.65 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.544 1.164 . . . . 0.0 111.265 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . 149.2 -14.64 1.12 Allowed Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.96 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 16' ' ' VAL . 69.5 t -92.71 118.89 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 O-C-N 121.175 -1.191 . . . . 0.0 111.48 -174.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.682 ' CD2' ' HD1' ' A' ' 2' ' ' TYR . 0.5 OUTLIER -109.33 106.6 16.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.594 0.712 . . . . 0.0 110.796 174.329 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.716 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 99.7 m -93.57 130.45 39.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.228 1.013 . . . . 0.0 111.093 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 -163.41 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.825 0.821 . . . . 0.0 110.975 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.54 -11.18 59.89 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -175.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -146.38 27.97 1.11 Allowed 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.207 -0.933 . . . . 0.0 112.527 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.36 149.9 5.19 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-O 122.134 0.852 . . . . 0.0 111.717 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 95.9 m -86.31 153.22 22.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.125 0.964 . . . . 0.0 110.947 -175.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -139.34 60.88 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.401 1.096 . . . . 0.0 110.656 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 7' ' ' VAL . 79.7 t -55.85 102.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.368 -174.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.656 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.64 88.45 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.151 0.976 . . . . 0.0 110.292 173.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.325 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.12 -42.84 11.47 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.9 mm-40 -60.11 -20.12 56.72 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.769 -0.842 . . . . 0.0 112.765 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . . . -76.75 -40.73 47.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.759 0.79 . . . . 0.0 111.068 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.6 t80 -64.24 -32.74 74.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.85 0.833 . . . . 0.0 110.87 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -70.09 -36.27 74.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.999 0.904 . . . . 0.0 110.967 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.7 88.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.043 0.925 . . . . 0.0 110.928 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.46 70.39 Favored Glycine 0 C--O 1.238 0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.738 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -65.79 -54.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.823 1.297 . . . . 0.0 110.696 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -47.1 -43.41 20.38 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.122 174.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -68.56 -37.78 80.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.006 0.907 . . . . 0.0 110.975 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.64 -38.3 87.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.747 0.784 . . . . 0.0 111.14 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.47 35.62 4.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.003 0.906 . . . . 0.0 111.269 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 122.047 0.927 . . . . 0.0 110.939 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 tttm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 122.033 0.921 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.4 168.84 19.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.938 0.875 . . . . 0.0 111.007 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.751 ' HD2' HG12 ' A' ' 7' ' ' VAL . 2.3 m-30 -142.4 -177.55 5.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 110.886 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 2.51 35.19 Favored Glycine 0 C--O 1.243 0.667 0 O-C-N 121.811 -0.556 . . . . 0.0 114.483 -174.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -157.06 55.43 0.52 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.226 -1.161 . . . . 0.0 111.221 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.24 49.41 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.783 0.657 . . . . 0.0 111.856 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 16' ' ' VAL . 22.7 t -101.59 101.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.976 0.893 . . . . 0.0 110.95 174.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.48 124.97 46.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.862 0.839 . . . . 0.0 110.929 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -91.11 134.99 34.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.091 0.948 . . . . 0.0 111.222 -174.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 44.0 p -118.91 34.68 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.752 0.787 . . . . 0.0 111.811 -174.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 59.08 9.66 1.35 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -114.19 -39.47 3.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.886 1.326 . . . . 0.0 111.047 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.21 34.61 0.02 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-O 123.313 1.507 . . . . 0.0 110.632 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER 56.23 155.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 124.091 1.9 . . . . 0.0 112.154 -172.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -147.86 132.5 17.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 7' ' ' VAL . 88.5 t -102.07 148.87 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 122.526 1.155 . . . . 0.0 112.065 -173.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -111.63 108.43 17.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.12 172.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.574 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 60.3 m95 -84.26 30.23 0.54 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.49 -41.04 0.64 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -36.73 84.97 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 111.151 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -36.36 21.03 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.8 t80 -56.55 -43.09 79.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.163 0.982 . . . . 0.0 110.83 174.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 p -73.89 -37.93 64.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.871 0.843 . . . . 0.0 111.0 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.84 76.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.941 0.877 . . . . 0.0 111.074 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.64 -30.98 55.51 Favored Glycine 0 C--N 1.319 -0.362 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.6 t -66.4 -57.86 8.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.72 1.248 . . . . 0.0 110.571 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -36.69 27.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.974 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -72.75 -37.3 67.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.037 0.922 . . . . 0.0 110.932 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.733 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.02 -41.63 92.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.836 0.827 . . . . 0.0 110.893 176.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.57 33.39 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.856 0.836 . . . . 0.0 111.26 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 C--N 1.32 -0.694 0 CA-C-O 121.925 0.869 . . . . 0.0 111.072 177.361 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.506 ' HB3' ' HE3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.013 0.911 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.715 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -81.84 173.21 12.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.875 0.845 . . . . 0.0 110.997 177.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -148.52 -178.95 6.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.983 0.897 . . . . 0.0 110.985 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.03 -92.58 0.01 OUTLIER Glycine 0 C--N 1.32 -0.349 0 CA-C-O 123.542 1.634 . . . . 0.0 114.198 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.34 -8.3 5.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.809 -0.818 . . . . 0.0 113.082 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.68 53.1 0.49 Allowed Glycine 0 C--N 1.318 -0.438 0 O-C-N 121.411 -0.805 . . . . 0.0 111.107 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.99 HG22 HG23 ' A' ' 16' ' ' VAL . 14.7 t -105.95 135.77 42.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.891 0.853 . . . . 0.0 110.988 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.715 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -123.77 89.44 3.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.832 0.825 . . . . 0.0 110.861 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.8 m -89.04 115.78 26.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.042 0.925 . . . . 0.0 110.963 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -167.36 1.46 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.145 0.974 . . . . 0.0 110.983 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -64.1 -32.58 74.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.639 0.733 . . . . 0.0 111.26 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.2 p -72.23 -14.14 61.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -111.01 0.56 Allowed Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.8 m -137.54 156.77 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.002 0.906 . . . . 0.0 110.889 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.0 70.53 1.24 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.063 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.99 HG23 HG22 ' A' ' 7' ' ' VAL . 1.4 p -67.95 148.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.967 0.889 . . . . 0.0 111.091 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -115.59 68.63 0.72 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.467 1.127 . . . . 0.0 110.447 173.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.703 ' NE1' HG11 ' A' ' 16' ' ' VAL . 23.7 m95 -50.0 -21.48 1.24 Allowed 'General case' 0 C--O 1.245 0.841 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.02 -46.09 9.71 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.11 -15.59 57.2 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.808 -0.819 . . . . 0.0 112.518 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.66 23.33 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.862 0.839 . . . . 0.0 111.04 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -41.71 98.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.296 1.046 . . . . 0.0 110.608 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.27 -40.12 93.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.958 0.885 . . . . 0.0 111.043 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.57 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.951 0.881 . . . . 0.0 110.954 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 -32.82 54.89 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -35.22 72.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.844 0.83 . . . . 0.0 110.977 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -64.51 -51.0 65.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.094 0.949 . . . . 0.0 110.545 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -53.18 -35.5 59.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.006 0.908 . . . . 0.0 110.779 174.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -77.65 -39.76 44.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.851 0.834 . . . . 0.0 110.98 -175.609 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.89 33.44 4.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.875 0.845 . . . . 0.0 111.364 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t30 . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 122.005 0.907 . . . . 0.0 111.044 176.413 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 122.845 1.307 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 t80 72.42 88.95 0.1 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.127 1.441 . . . . 0.0 109.404 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -75.0 -103.95 0.01 OUTLIER 'General case' 0 C--O 1.251 1.166 0 CA-C-N 114.856 -1.065 . . . . 0.0 112.376 -170.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.93 -114.94 0.73 Allowed Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.58 -1.325 . . . . 0.0 111.818 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 43.8 m-20 -71.25 -10.7 60.19 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 122.032 -0.687 . . . . 0.0 112.648 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.77 47.79 0.03 OUTLIER Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.248 -0.908 . . . . 0.0 111.055 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 16' ' ' VAL . 87.5 t -106.98 92.94 2.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.944 0.878 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 72.7 1.74 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 111.166 -174.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 10' ' ' THR . 10.2 t -70.64 138.14 50.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.087 0.946 . . . . 0.0 110.918 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 9' ' ' CYS . 9.5 p -159.04 -114.3 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.193 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 26.7 10.26 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 121.387 -0.821 . . . . 0.0 111.642 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -136.41 18.75 3.14 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.391 -0.818 . . . . 0.0 111.795 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.66 139.97 3.5 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.2 m -56.3 102.51 0.08 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.826 0.822 . . . . 0.0 110.293 -174.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -101.61 80.6 2.07 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.084 0.945 . . . . 0.0 110.99 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 7' ' ' VAL . 97.3 t -66.51 100.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.774 0.797 . . . . 0.0 110.858 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.465 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -59.22 93.04 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.079 0.942 . . . . 0.0 110.794 176.157 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -59.32 -20.28 53.21 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.58 9.4 Favored Glycine 0 N--CA 1.464 0.534 0 O-C-N 121.45 -0.781 . . . . 0.0 111.332 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.9 mp0 -66.38 -22.55 66.25 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.717 -0.872 . . . . 0.0 112.838 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -80.62 -37.44 31.11 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.129 0.966 . . . . 0.0 110.893 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.3 t80 -54.84 -54.27 44.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.336 1.065 . . . . 0.0 110.714 174.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -36.84 77.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.919 0.866 . . . . 0.0 110.99 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -50.6 -49.32 56.8 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.278 1.037 . . . . 0.0 110.911 174.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.678 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -92.99 1.17 70.24 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.309 -0.869 . . . . 0.0 114.049 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 22' ' ' PHE . 58.5 t -71.83 -37.42 61.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 125.24 2.448 . . . . 0.0 106.719 165.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -72.67 -30.15 64.02 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 112.81 -1.995 . . . . 0.0 110.469 170.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.678 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.07 2.04 56.62 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.094 173.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -89.99 -43.75 10.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.105 0.955 . . . . 0.0 110.161 174.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 -90.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.949 0.881 . . . . 0.0 110.174 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.319 -0.736 0 CA-C-O 123.381 1.562 . . . . 0.0 111.412 175.606 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 122.0 0.905 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -145.74 95.52 2.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.74 0.781 . . . . 0.0 111.308 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -57.78 -73.33 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.033 0.92 . . . . 0.0 110.934 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 -112.01 0.64 Allowed Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.97 0.761 . . . . 0.0 111.264 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.602 ' O ' HG23 ' A' ' 7' ' ' VAL . 73.2 m-20 -73.22 91.51 1.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.495 0.664 . . . . 0.0 111.19 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 49.7 25.33 6.71 Favored Glycine 0 C--N 1.319 -0.374 0 CA-C-O 121.689 0.605 . . . . 0.0 111.915 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.07 HG22 HG23 ' A' ' 16' ' ' VAL . 55.8 t -97.33 87.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 121.557 -0.967 . . . . 0.0 110.986 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 91.82 4.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.5 0.667 . . . . 0.0 110.527 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.38 -176.2 3.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 123.068 1.413 . . . . 0.0 111.989 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 50.62 79.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.356 175.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -164.61 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.602 1.191 . . . . 0.0 110.791 174.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -119.13 -0.9 10.98 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.419 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.27 104.16 0.36 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.27 130.58 46.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.048 0.928 . . . . 0.0 111.016 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -169.15 136.6 1.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.894 0.855 . . . . 0.0 110.887 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.07 HG23 HG22 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -78.57 171.42 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 123.275 1.512 . . . . 0.0 112.034 -174.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -123.83 73.39 1.2 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.898 1.332 . . . . 0.0 109.6 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 26.0 m95 -52.41 -17.81 1.36 Allowed 'General case' 0 C--O 1.247 0.954 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.27 -49.15 9.73 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -14.86 53.38 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.081 -0.658 . . . . 0.0 112.681 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.36 23.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.974 0.892 . . . . 0.0 110.961 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.838 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 t80 -67.75 -42.3 82.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.796 0.808 . . . . 0.0 110.686 174.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -63.56 -42.22 98.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.981 0.896 . . . . 0.0 111.065 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.85 74.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.879 0.847 . . . . 0.0 110.927 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.86 -29.75 58.7 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.5 t -64.86 -54.98 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.878 1.323 . . . . 0.0 110.883 174.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -50.42 -42.45 53.88 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.927 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -71.32 -29.38 64.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.821 0.82 . . . . 0.0 111.089 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.812 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.74 -37.07 83.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 111.05 174.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 25.51 3.02 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.759 -0.588 . . . . 0.0 111.979 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 . . . . . 0 C--N 1.319 -0.728 0 CA-C-O 122.347 1.07 . . . . 0.0 110.619 174.466 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.968 0.89 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.416 ' CE1' ' NE2' ' A' ' 8' ' ' HIS . 23.7 t80 -107.29 78.27 1.21 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.571 0.7 . . . . 0.0 110.578 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.477 ' HB2' HG12 ' A' ' 7' ' ' VAL . 6.3 m-85 -46.29 117.44 1.57 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.861 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 5' ' ' ASN . . . -45.91 139.97 6.03 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.7 t-20 89.15 48.21 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.446 1.117 . . . . 0.0 111.122 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.634 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . 62.48 18.94 59.48 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.67 HG22 HG23 ' A' ' 16' ' ' VAL . 16.9 t -99.46 149.63 5.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.203 -1.175 . . . . 0.0 111.271 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.416 ' NE2' ' CE1' ' A' ' 2' ' ' TYR . 0.9 OUTLIER -135.65 92.54 2.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.024 0.916 . . . . 0.0 111.042 175.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.08 158.28 15.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.411 1.101 . . . . 0.0 111.09 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 72.42 46.71 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.857 1.313 . . . . 0.0 110.648 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE3' ' HB3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -149.57 81.91 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.438 1.59 . . . . 0.0 110.065 174.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p 46.6 30.76 1.19 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.262 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.49 134.55 4.58 Favored Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 124.9 10.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 174.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -141.42 121.54 13.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.982 0.896 . . . . 0.0 110.918 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.67 HG23 HG22 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -98.14 151.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.492 1.139 . . . . 0.0 111.649 -174.424 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.94 70.9 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.944 0.878 . . . . 0.0 109.958 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.576 ' NE1' HG11 ' A' ' 16' ' ' VAL . 21.8 m95 -48.28 -23.92 1.04 Allowed 'General case' 0 C--O 1.247 0.926 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.637 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -77.61 -55.22 4.3 Favored Glycine 0 N--CA 1.464 0.511 0 CA-C-O 122.374 0.985 . . . . 0.0 110.85 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -58.23 8.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.859 1.79 . . . . 0.0 110.023 -176.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . . . -41.98 -43.83 3.28 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.378 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.637 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 7.7 t80 -52.22 -54.84 25.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.453 1.121 . . . . 0.0 110.784 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -62.76 -33.16 74.59 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 111.011 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.68 55.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.297 1.046 . . . . 0.0 110.915 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.14 -25.14 71.85 Favored Glycine 0 C--O 1.238 0.354 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.625 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.56 -44.28 79.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.045 0.926 . . . . 0.0 110.88 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.01 -39.74 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.686 0.755 . . . . 0.0 111.079 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -81.34 -29.78 34.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.657 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.2 -64.48 0.9 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.9 . . . . 0.0 110.77 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.59 -55.71 5.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.748 1.261 . . . . 0.0 110.802 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 123.601 1.667 . . . . 0.0 110.594 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.932 0.872 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.594 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 1.3 m-85 -128.96 156.96 42.94 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.812 0.815 . . . . 0.0 111.099 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.594 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.5 m-30 -132.12 27.4 4.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.497 0.665 . . . . 0.0 111.462 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 158.27 0.58 Allowed Glycine 0 C--N 1.32 -0.334 0 CA-C-O 122.191 0.884 . . . . 0.0 111.432 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 m120 57.61 40.32 26.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.977 0.894 . . . . 0.0 111.043 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.28 48.89 71.77 Favored Glycine 0 C--N 1.321 -0.283 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 16' ' ' VAL . 55.4 t -111.68 136.06 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.881 0.848 . . . . 0.0 111.027 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.08 128.9 18.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.065 0.936 . . . . 0.0 111.054 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -89.7 99.67 12.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 110.917 -176.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -166.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.005 0.907 . . . . 0.0 110.934 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -73.18 -33.15 65.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.672 0.749 . . . . 0.0 111.185 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -105.85 25.86 10.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.691 -0.63 . . . . 0.0 112.252 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.65 19.42 Favored Glycine 0 N--CA 1.462 0.417 0 O-C-N 121.329 -0.857 . . . . 0.0 111.312 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -119.69 135.72 54.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.076 0.941 . . . . 0.0 111.12 -174.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.41 136.96 26.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 -174.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 7' ' ' VAL . 62.8 t -94.28 111.92 26.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.475 0.655 . . . . 0.0 111.414 -174.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.14 107.19 3.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.769 0.795 . . . . 0.0 110.384 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -82.5 26.43 0.56 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.71 -51.83 0.19 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.54 -17.77 64.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.542 0.686 . . . . 0.0 112.406 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.21 35.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.948 0.88 . . . . 0.0 110.952 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.747 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.0 t80 -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.793 0.806 . . . . 0.0 110.81 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -69.63 -35.22 75.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.981 0.896 . . . . 0.0 111.1 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.957 0.884 . . . . 0.0 111.075 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.39 -28.58 57.54 Favored Glycine 0 C--O 1.238 0.38 0 CA-C-O 121.688 0.604 . . . . 0.0 111.648 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 22' ' ' PHE . 94.2 t -63.49 -55.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.644 1.211 . . . . 0.0 110.612 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -46.86 -47.96 21.17 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.905 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -44.01 84.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.093 0.949 . . . . 0.0 110.863 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.92 -35.28 76.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.824 0.821 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 35.32 3.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.084 0.945 . . . . 0.0 111.137 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 121.84 0.829 . . . . 0.0 111.107 -177.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.96 0.886 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.738 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 37.5 t80 -138.08 86.43 2.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.677 0.751 . . . . 0.0 111.233 -175.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.722 ' CE1' ' HB2' ' A' ' 9' ' ' CYS . 82.2 m-85 -55.78 145.57 23.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.092 0.948 . . . . 0.0 110.773 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.82 145.38 33.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 122.054 0.808 . . . . 0.0 111.814 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 75.2 46.98 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.04 0.924 . . . . 0.0 111.542 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 58.81 10.99 Favored Glycine 0 C--O 1.238 0.361 0 CA-C-O 121.926 0.737 . . . . 0.0 113.485 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.71 ' CG2' HG23 ' A' ' 16' ' ' VAL . 2.6 t -129.92 130.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.6 -0.941 . . . . 0.0 110.676 173.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.738 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -121.91 109.3 14.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.827 0.822 . . . . 0.0 111.86 175.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.722 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 1.2 m -90.47 91.16 8.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.512 171.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 11' ' ' LYS . 2.4 t -126.11 -112.13 0.29 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -170.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.556 ' HG3' ' H ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -41.05 -61.14 1.04 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.245 1.021 . . . . 0.0 112.929 -170.279 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.556 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 66.2 p 176.62 37.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.089 0.947 . . . . 0.0 111.026 -174.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.9 0.33 Allowed Glycine 0 CA--C 1.522 0.478 0 CA-C-O 122.755 1.197 . . . . 0.0 112.647 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 82.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.471 -0.865 . . . . 0.0 110.795 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.1 p -153.08 179.69 8.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.318 1.056 . . . . 0.0 111.711 -173.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG23 ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -110.88 152.98 12.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.878 1.323 . . . . 0.0 112.755 -174.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.08 75.81 1.01 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.992 1.377 . . . . 0.0 109.003 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CE2' HG11 ' A' ' 16' ' ' VAL . 24.1 m95 -49.19 -20.5 0.61 Allowed 'General case' 0 C--O 1.248 0.98 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -171.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -53.66 5.76 Favored Glycine 0 C--N 1.317 -0.496 0 CA-C-O 122.327 0.959 . . . . 0.0 110.746 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.32 -20.13 65.9 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.902 -0.764 . . . . 0.0 112.844 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.89 -36.33 31.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.004 0.907 . . . . 0.0 110.625 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.81 -38.45 85.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.965 0.888 . . . . 0.0 110.581 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -62.69 -45.54 92.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.815 0.817 . . . . 0.0 110.961 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -41.57 65.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.995 0.902 . . . . 0.0 110.947 174.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.49 58.63 Favored Glycine 0 C--O 1.238 0.385 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.991 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.08 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.178 0.989 . . . . 0.0 110.875 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -43.89 91.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.843 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -72.87 -28.31 62.42 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.646 0.736 . . . . 0.0 111.354 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.4 -49.22 35.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.879 0.847 . . . . 0.0 111.057 177.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.51 0.87 36.04 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 t30 . . . . . 0 C--N 1.319 -0.745 0 O-C-N 121.181 -0.949 . . . . 0.0 110.851 174.603 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 tttt . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.952 0.882 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.505 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -71.81 130.83 42.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.831 0.824 . . . . 0.0 110.947 174.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.623 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 23.1 m-85 -119.49 79.03 1.37 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.692 0.758 . . . . 0.0 111.146 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.91 -114.5 4.22 Favored Glycine 0 C--N 1.319 -0.385 0 CA-C-O 122.045 0.803 . . . . 0.0 111.466 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.482 ' OD1' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -61.48 -30.31 70.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.332 1.063 . . . . 0.0 112.577 -175.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.505 ' HA2' ' CE1' ' A' ' 2' ' ' TYR . . . 135.79 41.59 0.13 Allowed Glycine 0 C--O 1.239 0.453 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.542 -176.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.859 HG13 HG22 ' A' ' 16' ' ' VAL . 71.5 t -92.66 68.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.533 1.159 . . . . 0.0 110.062 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -64.54 167.16 7.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 122.141 0.972 . . . . 0.0 111.331 -172.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.27 100.66 3.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.98 0.895 . . . . 0.0 110.741 174.391 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -91.11 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 123.107 1.432 . . . . 0.0 110.67 -175.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.623 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -161.94 -41.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.547 1.165 . . . . 0.0 110.487 -174.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.623 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 88.5 p -77.63 -4.25 45.04 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.276 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.15 157.3 7.26 Favored Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -63.04 156.37 24.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.982 0.896 . . . . 0.0 111.017 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -154.55 79.28 1.09 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.051 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.859 HG22 HG13 ' A' ' 7' ' ' VAL . 41.9 t -62.31 150.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 122.114 0.959 . . . . 0.0 111.135 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.6 t-20 -116.82 90.15 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.994 0.902 . . . . 0.0 110.692 174.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -68.43 -2.28 8.27 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 -41.28 2.53 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.195 -0.941 . . . . 0.0 111.087 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.0 mt-10 -65.14 -16.18 63.22 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.009 -0.701 . . . . 0.0 112.81 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.44 -36.6 20.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.034 0.921 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.868 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.65 -49.87 74.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.19 0.995 . . . . 0.0 110.714 174.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -38.11 86.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.819 0.819 . . . . 0.0 111.167 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . . . -52.13 -48.88 64.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.529 1.157 . . . . 0.0 110.948 176.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.4 -21.07 76.11 Favored Glycine 0 C--O 1.24 0.494 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.42 -176.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 22' ' ' PHE . 94.7 t -66.72 -58.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 174.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 24' ' ' ALA . 3.8 p-80 -61.6 -26.95 68.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.382 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -33.2 62.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.542 1.163 . . . . 0.0 110.263 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.778 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.91 -39.18 91.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.902 0.858 . . . . 0.0 110.74 174.068 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.05 29.92 2.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.435 0.636 . . . . 0.0 111.668 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.1 t30 . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 122.003 0.906 . . . . 0.0 110.873 174.742 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.009 0.909 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.661 ' HE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -92.99 152.24 19.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 174.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -124.9 -78.43 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.611 0.719 . . . . 0.0 111.302 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.66 -146.28 17.24 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.085 0.825 . . . . 0.0 111.866 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -16.87 61.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.798 -0.825 . . . . 0.0 112.779 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.661 ' HA2' ' HE1' ' A' ' 2' ' ' TYR . . . 174.25 40.68 0.05 OUTLIER Glycine 0 C--N 1.319 -0.411 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -175.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 16' ' ' VAL . 54.4 t -109.37 147.56 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.922 0.867 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.7 79.17 1.88 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.076 0.941 . . . . 0.0 110.916 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.89 130.74 45.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.291 1.043 . . . . 0.0 111.004 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.92 -84.3 0.66 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.046 1.403 . . . . 0.0 110.623 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 -37.86 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.754 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.9 p -122.61 30.6 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.668 0.747 . . . . 0.0 111.199 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.07 -97.04 0.37 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-O 122.914 1.285 . . . . 0.0 110.709 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m 62.2 98.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.998 1.38 . . . . 0.0 111.688 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 p -166.07 129.9 2.15 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.755 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 7' ' ' VAL . 36.1 t -93.71 116.73 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.866 0.841 . . . . 0.0 111.6 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.585 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -78.85 84.66 4.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.164 0.983 . . . . 0.0 110.265 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -49.41 -25.67 2.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.15 -41.8 6.12 Favored Glycine 0 N--CA 1.464 0.517 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -69.03 -9.09 50.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.678 -0.895 . . . . 0.0 112.709 174.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.924 0.868 . . . . 0.0 110.944 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.857 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.2 t80 -68.78 -35.09 76.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.981 0.896 . . . . 0.0 110.977 174.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -69.62 -35.8 75.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.854 0.835 . . . . 0.0 111.008 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.58 98.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.074 0.94 . . . . 0.0 110.973 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -28.77 67.44 Favored Glycine 0 C--O 1.238 0.383 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 22' ' ' PHE . 86.6 t -66.53 -54.78 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 122.874 1.321 . . . . 0.0 110.482 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -45.62 -44.3 13.01 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.487 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -78.03 -34.05 50.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.02 0.914 . . . . 0.0 111.15 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -49.86 76.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.854 0.835 . . . . 0.0 110.913 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.81 29.31 3.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.529 0.68 . . . . 0.0 111.471 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.32 -0.703 0 CA-C-O 122.109 0.957 . . . . 0.0 110.748 174.687 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.683 ' HD2' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.941 0.877 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.683 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 24.8 t80 -99.76 104.05 15.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.983 0.897 . . . . 0.0 111.122 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.736 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 62.7 m-85 -78.4 177.9 8.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.94 0.876 . . . . 0.0 110.957 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 161.31 37.39 Favored Glycine 0 C--N 1.32 -0.347 0 CA-C-O 122.133 0.852 . . . . 0.0 111.524 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.76 47.6 3.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.973 0.892 . . . . 0.0 111.155 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 52.81 39.49 Favored Glycine 0 C--N 1.32 -0.341 0 CA-C-O 121.806 0.67 . . . . 0.0 112.138 174.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.032 HG22 HG22 ' A' ' 16' ' ' VAL . 11.3 t -119.36 144.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.77 -0.841 . . . . 0.0 110.753 174.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -136.92 94.66 2.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.079 0.942 . . . . 0.0 111.467 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.736 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . 3.9 m -90.97 156.76 17.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 0.0 110.853 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.19 153.72 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.838 0.828 . . . . 0.0 110.778 -174.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.33 90.34 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.11 0.957 . . . . 0.0 110.568 -174.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p 79.24 0.42 2.32 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 124.632 1.173 . . . . 0.0 112.417 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.91 172.78 39.16 Favored Glycine 0 C--N 1.318 -0.424 0 O-C-N 120.93 -1.107 . . . . 0.0 111.532 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 m -72.04 135.34 46.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.651 0.738 . . . . 0.0 110.999 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.75 138.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.057 0.932 . . . . 0.0 111.235 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.032 HG22 HG22 ' A' ' 7' ' ' VAL . 93.3 t -96.79 135.88 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.951 0.881 . . . . 0.0 110.966 -175.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -66.98 -18.95 65.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.759 ' H ' HG12 ' A' ' 16' ' ' VAL . 83.5 m95 27.09 44.51 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 124.977 1.311 . . . . 0.0 112.928 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -51.01 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.42 -20.05 66.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.352 1.073 . . . . 0.0 112.019 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -72.19 -47.95 46.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.104 0.954 . . . . 0.0 110.798 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.53 -46.51 63.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.076 0.941 . . . . 0.0 110.895 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.488 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.1 t -71.03 -29.29 65.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.82 0.819 . . . . 0.0 111.187 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -61.09 -41.16 96.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.026 0.917 . . . . 0.0 110.92 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.56 -41.08 21.11 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -56.2 -45.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 122.027 0.917 . . . . 0.0 110.979 174.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -55.64 -49.48 72.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.961 0.886 . . . . 0.0 110.983 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.23 -37.22 69.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.988 0.899 . . . . 0.0 110.913 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.94 -36.24 80.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.898 0.856 . . . . 0.0 110.912 177.247 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.86 61.66 0.73 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.756 1.265 . . . . 0.0 110.974 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 . . . . . 0 CA--C 1.51 -0.577 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 175.536 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.675 ' CG ' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.014 0.911 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.679 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 2.7 t80 -71.2 157.57 37.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.675 0.75 . . . . 0.0 111.056 -175.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.679 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 6.5 m-30 -133.94 63.58 1.62 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.063 0.935 . . . . 0.0 111.512 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' A' ' 2' ' ' TYR . . . 70.59 -112.35 4.24 Favored Glycine 0 CA--C 1.508 -0.353 0 CA-C-O 122.417 1.009 . . . . 0.0 113.787 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.738 ' ND2' ' HB1' ' A' ' 21' ' ' ALA . 60.6 t30 -50.45 -26.53 5.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -173.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 2' ' ' TYR . . . 129.9 66.9 0.11 Allowed Glycine 0 C--N 1.319 -0.365 0 CA-C-O 122.237 0.91 . . . . 0.0 111.036 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.978 HG22 ' CG2' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -125.62 94.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 122.715 1.245 . . . . 0.0 110.478 176.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.461 ' NE2' ' CE1' ' A' ' 2' ' ' TYR . 1.9 m80 -92.99 83.94 4.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.093 -174.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.668 ' SG ' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -109.77 139.95 44.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.894 0.854 . . . . 0.0 110.834 174.393 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 3.0 p -122.55 24.59 9.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.369 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' THR . 1.4 tttp 93.53 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.625 1.57 . . . . 0.0 111.885 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -76.33 -8.31 56.84 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.853 -174.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.64 112.37 0.26 Allowed Glycine 0 C--N 1.319 -0.407 0 O-C-N 121.205 -0.934 . . . . 0.0 111.079 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 41.3 t -92.39 148.77 21.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.71 0.766 . . . . 0.0 110.852 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -144.77 71.92 1.32 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.145 0.974 . . . . 0.0 110.935 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.978 ' CG2' HG22 ' A' ' 7' ' ' VAL . 57.4 t -58.47 124.62 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.864 0.84 . . . . 0.0 110.956 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -82.95 81.36 8.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.181 0.991 . . . . 0.0 110.647 174.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -61.29 -15.34 34.43 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.48 -48.8 3.87 Favored Glycine 0 N--CA 1.464 0.513 0 O-C-N 121.31 -0.869 . . . . 0.0 111.454 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -14.16 40.88 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.666 -0.902 . . . . 0.0 112.897 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.738 ' HB1' ' ND2' ' A' ' 5' ' ' ASN . . . -81.91 -43.45 18.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.845 0.831 . . . . 0.0 111.07 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -60.92 -42.13 97.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.967 0.889 . . . . 0.0 110.867 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -69.27 -34.81 75.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.997 0.903 . . . . 0.0 111.052 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.68 87.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.987 0.899 . . . . 0.0 111.008 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.95 -37.15 16.67 Favored Glycine 0 C--N 1.32 -0.322 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.57 -34.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.982 0.896 . . . . 0.0 110.871 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.57 -55.33 28.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.957 0.884 . . . . 0.0 110.817 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -55.47 -34.64 64.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.007 0.908 . . . . 0.0 110.979 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.95 -40.95 64.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.882 . . . . 0.0 111.015 -178.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.82 33.69 3.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.711 0.767 . . . . 0.0 111.545 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.972 0.892 . . . . 0.0 110.896 174.755 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.007 0.908 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.75 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 4.8 t80 -73.08 172.78 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.909 0.862 . . . . 0.0 111.053 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.564 ' HB2' HG12 ' A' ' 7' ' ' VAL . 11.8 m-85 -148.85 175.73 11.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.893 0.854 . . . . 0.0 110.939 175.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 150.58 41.79 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-O 122.049 0.805 . . . . 0.0 111.22 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 70.39 37.31 1.56 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.861 0.839 . . . . 0.0 110.927 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.28 43.29 64.52 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.897 0.721 . . . . 0.0 111.439 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.908 HG22 HG22 ' A' ' 16' ' ' VAL . 1.5 t -100.55 151.4 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.996 0.903 . . . . 0.0 110.999 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.75 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -148.22 98.15 2.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.803 0.811 . . . . 0.0 111.063 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.604 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 7.0 m -86.79 137.7 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.712 0.768 . . . . 0.0 110.679 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 11' ' ' LYS . 18.7 m -147.66 -101.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.133 0.492 . . . . 0.0 111.865 -173.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -45.1 -54.19 7.06 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.258 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.1 p -173.54 76.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.18 -0.95 . . . . 0.0 111.241 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 126.51 -146.12 16.12 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -174.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.7 m -137.69 147.11 44.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.203 1.002 . . . . 0.0 111.241 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.1 94.14 3.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.991 0.9 . . . . 0.0 110.786 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.908 HG22 HG22 ' A' ' 7' ' ' VAL . 9.0 t -76.63 126.9 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 111.832 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -84.82 93.39 8.48 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.018 0.913 . . . . 0.0 110.225 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -70.39 2.27 4.06 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.44 -34.96 5.12 Favored Glycine 0 C--N 1.318 -0.469 0 O-C-N 121.063 -1.023 . . . . 0.0 111.512 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -75.83 -22.41 56.3 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.618 -0.931 . . . . 0.0 112.638 177.036 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -74.7 -36.82 62.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.522 1.153 . . . . 0.0 110.126 173.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -54.34 -64.61 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.315 1.055 . . . . 0.0 110.422 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -56.13 -34.27 65.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.349 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -50.46 -64.31 0.85 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.323 1.058 . . . . 0.0 110.873 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.706 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -87.85 -1.38 82.63 Favored Glycine 0 C--O 1.242 0.631 0 O-C-N 121.458 -0.776 . . . . 0.0 113.905 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -28.83 29.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 123.262 1.506 . . . . 0.0 107.615 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -81.91 -25.93 34.53 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.202 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.706 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -75.35 -28.26 59.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.704 0.764 . . . . 0.0 110.127 172.245 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -76.64 -44.82 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.026 0.917 . . . . 0.0 110.756 176.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 35.62 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.017 0.913 . . . . 0.0 111.123 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 122.075 0.94 . . . . 0.0 110.963 174.921 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . 0.528 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 122.18 0.99 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.5 t80 65.03 146.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.391 1.091 . . . . 0.0 110.961 -174.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 20.1 m-85 -145.51 172.22 13.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.808 0.813 . . . . 0.0 110.873 -175.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 1.68 18.99 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.307 0.883 . . . . 0.0 115.307 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.24 38.22 3.66 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.3 -1.118 . . . . 0.0 110.743 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.97 36.26 19.98 Favored Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.899 0.722 . . . . 0.0 111.576 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.65 HG22 HG22 ' A' ' 16' ' ' VAL . 9.0 t -95.77 93.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 122.04 0.924 . . . . 0.0 110.916 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -95.04 108.14 20.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.296 1.046 . . . . 0.0 111.251 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 122.57 43.59 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.9 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.17 159.92 41.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.28 1.038 . . . . 0.0 111.888 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 4.4 ptmt 48.61 45.09 21.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.33 1.062 . . . . 0.0 112.097 173.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p 53.97 75.21 0.28 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.147 1.451 . . . . 0.0 110.276 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.73 162.28 10.83 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 157.8 33.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.869 1.319 . . . . 0.0 111.835 -174.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 83.68 1.6 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.144 0.973 . . . . 0.0 110.342 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 HG22 ' A' ' 7' ' ' VAL . 96.8 t -71.7 145.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.698 1.237 . . . . 0.0 112.3 -173.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -95.67 107.75 19.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.133 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -76.12 11.53 1.45 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.56 -46.58 1.64 Allowed Glycine 0 C--N 1.317 -0.513 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -27.17 69.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.374 1.083 . . . . 0.0 112.451 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 -32.86 48.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.068 0.937 . . . . 0.0 110.908 177.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.846 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -56.94 -57.09 14.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.433 1.111 . . . . 0.0 110.64 174.373 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -42.53 88.9 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.761 0.791 . . . . 0.0 111.146 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -52.6 -50.12 63.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.212 1.006 . . . . 0.0 110.887 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.61 -19.85 72.67 Favored Glycine 0 C--O 1.241 0.554 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.766 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 22' ' ' PHE . 85.5 t -68.64 -61.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 122.246 1.022 . . . . 0.0 111.356 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 24' ' ' ALA . 3.4 p-80 -58.84 -26.41 64.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.295 176.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 2.7 ttm180 -72.48 -37.33 68.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.256 1.027 . . . . 0.0 110.31 173.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -58.42 -37.45 75.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.807 0.813 . . . . 0.0 110.47 174.294 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.7 42.38 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.398 1.094 . . . . 0.0 110.985 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.087 179.233 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.685 0.755 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -91.33 -5.57 54.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.473 ' HE2' ' HB2' ' A' ' 9' ' ' CYS . 5.4 m-85 51.48 -172.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 122.709 1.242 . . . . 0.0 111.951 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -177.55 22.17 Favored Glycine 0 N--CA 1.46 0.283 0 O-C-N 121.36 -0.837 . . . . 0.0 111.891 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 31.71 61.87 0.28 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 125.609 1.563 . . . . 0.0 113.287 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.05 56.8 14.94 Favored Glycine 0 CA--C 1.509 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.891 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.498 HG13 ' SG ' ' A' ' 9' ' ' CYS . 2.4 t -124.28 160.14 29.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 121.736 -0.861 . . . . 0.0 110.564 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.7 m80 -156.01 99.25 1.95 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.589 -0.694 . . . . 0.0 110.69 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 9.8 m -130.33 172.05 12.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.254 1.026 . . . . 0.0 111.223 -176.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.49 40.05 17.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.335 1.064 . . . . 0.0 110.901 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.647 ' HG3' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -132.33 -56.51 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.032 0.92 . . . . 0.0 110.941 174.714 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.647 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 88.0 p -148.09 33.9 0.82 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.052 0.93 . . . . 0.0 110.823 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.11 126.08 5.6 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 52.2 t -62.19 137.04 58.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.947 0.88 . . . . 0.0 110.953 -177.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.94 110.39 2.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.985 0.898 . . . . 0.0 111.091 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.69 HG11 ' NE1' ' A' ' 18' ' ' TRP . 4.5 p -81.45 122.07 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.79 0.805 . . . . 0.0 111.582 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.556 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -91.05 69.88 6.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.464 1.126 . . . . 0.0 109.967 172.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.69 ' NE1' HG11 ' A' ' 16' ' ' VAL . 22.4 m95 -47.4 -23.69 0.65 Allowed 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -174.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.42 -48.65 10.38 Favored Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mm-40 -54.69 -23.0 15.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 112.813 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.51 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.896 0.855 . . . . 0.0 110.924 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.858 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.7 t80 -62.99 -30.64 71.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.705 0.764 . . . . 0.0 110.929 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -73.0 -34.01 66.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.026 0.917 . . . . 0.0 111.072 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.88 85.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.969 0.89 . . . . 0.0 110.976 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.18 -28.68 65.81 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-O 121.695 0.608 . . . . 0.0 111.623 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 22' ' ' PHE . 80.0 t -66.07 -53.67 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.986 1.374 . . . . 0.0 110.649 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -47.56 -42.61 24.01 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.31 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.98 -38.69 82.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 110.931 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -59.26 -25.01 63.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.364 0.602 . . . . 0.0 111.547 175.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.13 37.93 1.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.26 1.029 . . . . 0.0 111.248 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.322 -0.622 0 CA-C-O 121.982 0.896 . . . . 0.0 111.024 -178.165 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tttm . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.918 0.866 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.99 93.22 8.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.097 0.951 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' HB2' HG12 ' A' ' 7' ' ' VAL . 4.1 m-30 -76.68 175.58 9.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.954 0.883 . . . . 0.0 110.958 177.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 146.77 44.19 Favored Glycine 0 C--N 1.32 -0.329 0 CA-C-O 122.669 1.149 . . . . 0.0 112.522 -174.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 55.23 72.39 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.028 0.918 . . . . 0.0 111.822 174.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 46.07 44.57 14.27 Favored Glycine 0 C--O 1.24 0.493 0 CA-C-N 115.766 -0.652 . . . . 0.0 114.013 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.463 HG13 ' SG ' ' A' ' 14' ' ' CYS . 40.8 t -112.59 143.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.499 -1.001 . . . . 0.0 110.771 174.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.6 m80 -148.3 97.45 2.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 0.0 111.039 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 3.4 m -94.25 141.54 28.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.932 0.873 . . . . 0.0 110.641 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.493 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 2.6 p -130.15 54.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.884 0.85 . . . . 0.0 111.174 -174.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 50.07 28.17 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.461 0.648 . . . . 0.0 111.663 179.407 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 21.83 2.28 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.471 -0.768 . . . . 0.0 111.654 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' ' 14' ' ' CYS . . . 115.38 -107.49 1.75 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 1.0 OUTLIER 179.95 154.94 0.57 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.283 1.04 . . . . 0.0 111.139 174.156 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.6 66.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.93 0.871 . . . . 0.0 110.544 -175.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.659 HG11 ' NE1' ' A' ' 18' ' ' TRP . 9.6 p -52.4 122.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.022 0.915 . . . . 0.0 111.756 -174.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -91.09 70.37 6.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.321 1.058 . . . . 0.0 109.912 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.659 ' NE1' HG11 ' A' ' 16' ' ' VAL . 22.3 m95 -50.74 -19.92 1.1 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.81 18.7 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 174.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -15.38 16.0 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.084 -0.657 . . . . 0.0 112.677 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -35.58 29.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.913 0.864 . . . . 0.0 111.238 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -71.03 -34.68 71.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.124 0.964 . . . . 0.0 110.863 175.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.36 -31.23 62.32 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.058 0.932 . . . . 0.0 110.909 174.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -66.64 -32.48 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.987 0.898 . . . . 0.0 110.919 174.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.1 -32.16 53.32 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.2 t -63.77 -58.42 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.798 1.285 . . . . 0.0 110.625 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -48.51 -42.32 32.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.179 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -73.42 -30.68 63.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.945 0.879 . . . . 0.0 110.974 179.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.766 0.793 . . . . 0.0 110.766 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.35 -99.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.497 0.665 . . . . 0.0 110.458 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 123.79 1.757 . . . . 0.0 110.709 176.12 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.539 ' HB2' ' HE2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 121.883 0.849 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.649 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 24.9 t80 -75.72 168.14 20.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.977 0.894 . . . . 0.0 110.941 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.738 ' HB2' HG12 ' A' ' 7' ' ' VAL . 30.6 m-85 -145.96 -169.18 3.18 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.276 0.56 . . . . 0.0 110.768 -174.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.45 -169.47 0.1 OUTLIER Glycine 0 C--N 1.32 -0.328 0 CA-C-O 123.05 1.361 . . . . 0.0 113.01 175.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.616 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 29.9 m120 -46.68 125.44 7.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.262 1.029 . . . . 0.0 112.813 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.598 ' O ' HG13 ' A' ' 16' ' ' VAL . . . 47.43 41.05 16.72 Favored Glycine 0 C--O 1.241 0.559 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.669 173.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.84 HG22 HG22 ' A' ' 16' ' ' VAL . 7.0 t -128.65 126.4 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 O-C-N 121.463 -1.022 . . . . 0.0 111.393 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.649 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -147.78 100.51 3.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.83 0.824 . . . . 0.0 111.336 179.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB2' ' HE2' ' A' ' 3' ' ' TYR . 8.6 m -99.14 121.16 40.64 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.679 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.1 66.27 0.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 122.907 1.337 . . . . 0.0 112.147 176.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -176.66 29.77 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.712 1.72 . . . . 0.0 111.528 173.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.2 p 59.72 51.42 6.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 123.701 1.715 . . . . 0.0 109.622 -172.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.56 125.31 0.97 Allowed Glycine 0 N--CA 1.46 0.271 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.8 m -64.44 173.25 2.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.895 1.331 . . . . 0.0 111.826 -173.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.14 48.04 0.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 122.279 1.037 . . . . 0.0 110.598 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.84 HG22 HG22 ' A' ' 7' ' ' VAL . 26.0 t -52.33 122.79 2.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 122.016 0.912 . . . . 0.0 111.643 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -73.3 91.25 1.69 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 122.249 1.023 . . . . 0.0 110.428 174.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -60.36 -12.93 10.56 Favored 'General case' 0 C--O 1.248 1.013 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -173.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.41 -52.15 4.34 Favored Glycine 0 N--CA 1.464 0.512 0 O-C-N 121.278 -0.889 . . . . 0.0 111.04 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -25.27 67.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.955 0.883 . . . . 0.0 112.814 177.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.85 -32.45 20.26 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.737 0.779 . . . . 0.0 111.124 -175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.796 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.0 t80 -69.25 -40.12 78.06 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.023 0.916 . . . . 0.0 110.97 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p -75.28 -31.19 60.66 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.973 0.892 . . . . 0.0 110.997 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.616 ' HB1' ' CG ' ' A' ' 5' ' ' ASN . . . -66.61 -39.6 88.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.872 0.844 . . . . 0.0 111.06 175.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.57 -34.98 59.61 Favored Glycine 0 N--CA 1.462 0.403 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.9 t -64.74 -55.13 22.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 123.032 1.396 . . . . 0.0 110.365 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -46.74 -40.78 14.08 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.186 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.3 -41.68 80.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.976 0.893 . . . . 0.0 110.945 176.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.1 -32.37 61.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.766 0.793 . . . . 0.0 110.921 175.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.84 56.36 1.85 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.699 1.237 . . . . 0.0 111.224 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -50.3 68.76 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.237 -177.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.95 -96.39 0.11 Allowed Glycine 0 N--CA 1.461 0.323 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 74.8 15.71 80.69 Favored Glycine 0 N--CA 1.462 0.406 0 O-C-N 121.86 -0.788 . . . . 0.0 113.338 -177.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.4 t30 48.9 59.86 4.13 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 123.526 1.631 . . . . 0.0 110.639 -174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.78 -154.29 7.32 Favored Glycine 0 N--CA 1.46 0.256 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.208 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.77 27.35 4.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.608 0.718 . . . . 0.0 111.204 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 . . . . . 1 C--O 1.381 7.987 0 CA-C-O 121.934 0.873 . . . . 0.0 111.116 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.952 0.882 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.453 ' CD1' ' CD2' ' A' ' 8' ' ' HIS . 13.1 m-30 -86.2 156.66 20.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.979 0.895 . . . . 0.0 111.154 175.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.404 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.1 m-30 -120.14 33.36 5.63 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.18 0.99 . . . . 0.0 110.774 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 -126.16 5.08 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.28 86.55 5.03 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.897 0.856 . . . . 0.0 111.015 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 44.84 49.93 8.85 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.519 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.871 HG22 HG22 ' A' ' 16' ' ' VAL . 96.3 t -101.22 82.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 O-C-N 121.621 -0.929 . . . . 0.0 110.991 174.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.453 ' CD2' ' CD1' ' A' ' 2' ' ' TYR . 3.1 m80 -90.22 115.4 27.42 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.092 0.949 . . . . 0.0 111.22 -174.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 65.9 m -93.48 138.16 32.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.96 0.886 . . . . 0.0 110.879 174.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -177.19 4.16 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.068 0.937 . . . . 0.0 111.001 -176.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -30.29 71.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.48 0.657 . . . . 0.0 111.171 174.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -87.11 -8.42 57.03 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.567 -0.708 . . . . 0.0 112.789 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.23 163.97 10.86 Favored Glycine 0 C--N 1.318 -0.471 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.6 m -77.9 136.58 38.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.008 0.909 . . . . 0.0 110.971 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 t -151.97 133.5 14.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.963 0.887 . . . . 0.0 110.984 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.871 HG22 HG22 ' A' ' 7' ' ' VAL . 42.5 t -96.9 111.93 27.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.086 0.946 . . . . 0.0 111.073 -174.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -69.16 94.06 0.65 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 0.0 110.982 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -72.76 2.41 6.69 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.44 -53.7 0.98 Allowed Glycine 0 N--CA 1.463 0.435 0 O-C-N 121.092 -1.005 . . . . 0.0 111.307 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.59 -18.64 60.21 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 121.715 -0.873 . . . . 0.0 112.727 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.05 17.16 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.825 0.821 . . . . 0.0 110.957 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -59.57 -46.46 88.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 122.189 0.995 . . . . 0.0 110.799 174.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -42.7 95.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.56 -48.91 57.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.368 1.08 . . . . 0.0 110.757 174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.566 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -64.93 -47.48 82.21 Favored Glycine 0 N--CA 1.46 0.244 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -61.28 -30.51 48.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 O-C-N 122.211 -0.582 . . . . 0.0 111.279 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -65.81 -35.97 82.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.168 0.985 . . . . 0.0 109.543 173.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 3.7 mtp180 -58.06 -68.3 0.26 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.699 172.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HG ' ' HA ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -50.17 -28.55 7.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.743 0.782 . . . . 0.0 111.687 174.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.62 48.66 1.08 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.657 1.218 . . . . 0.0 111.293 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.81 -47.67 0.5 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.112 0.958 . . . . 0.0 110.586 174.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.36 -92.18 2.22 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 174.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.18 99.66 0.46 Allowed Glycine 0 C--N 1.32 -0.341 0 CA-C-O 122.417 1.009 . . . . 0.0 112.426 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 t30 37.05 36.85 0.06 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.526 1.155 . . . . 0.0 112.639 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.16 -144.64 18.43 Favored Glycine 0 N--CA 1.46 0.259 0 CA-C-O 122.006 0.781 . . . . 0.0 111.333 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.72 118.3 14.89 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.873 0.844 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 1 C--O 1.38 7.962 0 CA-C-O 121.998 0.904 . . . . 0.0 111.024 -177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.716 ' HD2' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.463 0 CA-C-O 123.267 1.508 . . . . 0.0 110.572 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.682 ' HD1' ' CD2' ' A' ' 8' ' ' HIS . 84.0 t80 -111.54 -3.61 15.07 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.516 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 49.56 24.32 1.12 Allowed 'General case' 0 C--N 1.319 -0.749 0 O-C-N 121.327 -0.858 . . . . 0.0 112.243 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.484 ' HA2' ' CD2' ' A' ' 2' ' ' TYR . . . 18.97 81.92 0.01 OUTLIER Glycine 0 C--N 1.319 -0.408 0 C-N-CA 125.138 1.351 . . . . 0.0 116.376 -174.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.65 -37.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.544 1.164 . . . . 0.0 111.265 -175.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . 149.2 -14.64 1.12 Allowed Glycine 0 C--O 1.243 0.704 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.96 -178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 16' ' ' VAL . 69.5 t -92.71 118.89 39.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 O-C-N 121.175 -1.191 . . . . 0.0 111.48 -174.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.682 ' CD2' ' HD1' ' A' ' 2' ' ' TYR . 0.5 OUTLIER -109.33 106.6 16.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.594 0.712 . . . . 0.0 110.796 174.329 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.716 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . 99.7 m -93.57 130.45 39.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 122.228 1.013 . . . . 0.0 111.093 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 -163.41 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.825 0.821 . . . . 0.0 110.975 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -79.54 -11.18 59.89 Favored 'General case' 0 C--O 1.247 0.958 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -175.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -146.38 27.97 1.11 Allowed 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.207 -0.933 . . . . 0.0 112.527 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.36 149.9 5.19 Favored Glycine 0 N--CA 1.463 0.454 0 CA-C-O 122.134 0.852 . . . . 0.0 111.717 174.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 95.9 m -86.31 153.22 22.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.125 0.964 . . . . 0.0 110.947 -175.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -139.34 60.88 1.57 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.401 1.096 . . . . 0.0 110.656 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 7' ' ' VAL . 79.7 t -55.85 102.39 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.368 -174.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.656 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -68.64 88.45 0.35 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.151 0.976 . . . . 0.0 110.292 173.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -57.33 -31.09 65.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.325 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.12 -42.84 11.47 Favored Glycine 0 N--CA 1.464 0.541 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.9 mm-40 -60.11 -20.12 56.72 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.769 -0.842 . . . . 0.0 112.765 175.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . . . -76.75 -40.73 47.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.759 0.79 . . . . 0.0 111.068 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.6 t80 -64.24 -32.74 74.45 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.85 0.833 . . . . 0.0 110.87 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -70.09 -36.27 74.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.999 0.904 . . . . 0.0 110.967 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.7 88.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.043 0.925 . . . . 0.0 110.928 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.46 70.39 Favored Glycine 0 C--O 1.238 0.406 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.738 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -65.79 -54.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 122.823 1.297 . . . . 0.0 110.696 174.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -47.1 -43.41 20.38 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.904 -1.044 . . . . 0.0 111.122 174.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -68.56 -37.78 80.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.006 0.907 . . . . 0.0 110.975 177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.64 -38.3 87.17 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.747 0.784 . . . . 0.0 111.14 177.008 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.47 35.62 4.7 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.003 0.906 . . . . 0.0 111.269 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.49 -32.41 72.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.047 0.927 . . . . 0.0 110.939 174.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -66.22 -69.66 1.3 Allowed Glycine 0 C--N 1.321 -0.294 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 174.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.16 3.48 37.84 Favored Glycine 0 C--O 1.239 0.42 0 O-C-N 121.761 -0.847 . . . . 0.0 113.651 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -23.15 59.57 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.395 -1.062 . . . . 0.0 112.386 -174.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.89 104.75 0.15 Allowed Glycine 0 C--N 1.319 -0.4 0 CA-C-O 122.124 0.847 . . . . 0.0 112.069 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -141.1 52.38 1.58 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.211 1.005 . . . . 0.0 111.028 175.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m95 . . . . . 1 C--O 1.381 8.0 0 CA-C-O 121.959 0.885 . . . . 0.0 111.016 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.5 tttm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 122.033 0.921 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.4 168.84 19.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.938 0.875 . . . . 0.0 111.007 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.751 ' HD2' HG12 ' A' ' 7' ' ' VAL . 2.3 m-30 -142.4 -177.55 5.32 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 110.886 177.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.14 2.51 35.19 Favored Glycine 0 C--O 1.243 0.667 0 O-C-N 121.811 -0.556 . . . . 0.0 114.483 -174.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -157.06 55.43 0.52 Allowed 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.226 -1.161 . . . . 0.0 111.221 174.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.1 39.24 49.41 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.783 0.657 . . . . 0.0 111.856 174.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 16' ' ' VAL . 22.7 t -101.59 101.45 12.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.976 0.893 . . . . 0.0 110.95 174.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.48 124.97 46.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.862 0.839 . . . . 0.0 110.929 -179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -91.11 134.99 34.07 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 122.091 0.948 . . . . 0.0 111.222 -174.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 44.0 p -118.91 34.68 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.752 0.787 . . . . 0.0 111.811 -174.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER 59.08 9.66 1.35 Allowed 'General case' 0 C--O 1.247 0.946 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 173.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.9 p -114.19 -39.47 3.88 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 122.886 1.326 . . . . 0.0 111.047 -174.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.21 34.61 0.02 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-O 123.313 1.507 . . . . 0.0 110.632 174.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER 56.23 155.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 124.091 1.9 . . . . 0.0 112.154 -172.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -147.86 132.5 17.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.577 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 7' ' ' VAL . 88.5 t -102.07 148.87 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 122.526 1.155 . . . . 0.0 112.065 -173.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -111.63 108.43 17.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.12 172.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.574 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 60.3 m95 -84.26 30.23 0.54 Allowed 'General case' 0 C--O 1.244 0.766 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -174.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.49 -41.04 0.64 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.05 -36.73 84.97 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 123.14 1.448 . . . . 0.0 111.151 173.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -36.36 21.03 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.935 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.754 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.8 t80 -56.55 -43.09 79.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.163 0.982 . . . . 0.0 110.83 174.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 p -73.89 -37.93 64.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.871 0.843 . . . . 0.0 111.0 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.84 76.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.941 0.877 . . . . 0.0 111.074 175.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.64 -30.98 55.51 Favored Glycine 0 C--N 1.319 -0.362 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.6 t -66.4 -57.86 8.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 122.72 1.248 . . . . 0.0 110.571 174.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -49.84 -36.69 27.65 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.974 174.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -72.75 -37.3 67.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.037 0.922 . . . . 0.0 110.932 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.733 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.02 -41.63 92.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.836 0.827 . . . . 0.0 110.893 176.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.57 33.39 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.856 0.836 . . . . 0.0 111.26 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -97.32 -48.04 5.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.925 0.869 . . . . 0.0 111.072 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 125.81 63.07 0.16 Allowed Glycine 0 C--N 1.32 -0.357 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.21 101.35 0.16 Allowed Glycine 0 C--N 1.319 -0.382 0 CA-C-O 123.02 1.345 . . . . 0.0 111.179 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -168.23 -59.83 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 122.133 0.968 . . . . 0.0 111.23 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.92 58.66 0.89 Allowed Glycine 0 C--N 1.321 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.012 -174.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.55 ' CE2' ' CE3' ' A' ' 37' ' ' TRP . 11.0 t80 60.66 131.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 124.203 1.954 . . . . 0.0 112.841 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.55 ' CE3' ' CE2' ' A' ' 36' ' ' PHE . 16.8 m0 . . . . . 1 C--O 1.38 7.929 0 O-C-N 120.439 -1.413 . . . . 0.0 110.973 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' HB3' ' HE3' ' A' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 CA--C 1.51 -0.575 0 CA-C-O 122.013 0.911 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.715 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 0.9 OUTLIER -81.84 173.21 12.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.875 0.845 . . . . 0.0 110.997 177.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -148.52 -178.95 6.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.983 0.897 . . . . 0.0 110.985 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.03 -92.58 0.01 OUTLIER Glycine 0 C--N 1.32 -0.349 0 CA-C-O 123.542 1.634 . . . . 0.0 114.198 -175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -62.34 -8.3 5.73 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.809 -0.818 . . . . 0.0 113.082 -175.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.68 53.1 0.49 Allowed Glycine 0 C--N 1.318 -0.438 0 O-C-N 121.411 -0.805 . . . . 0.0 111.107 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.99 HG22 HG23 ' A' ' 16' ' ' VAL . 14.7 t -105.95 135.77 42.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.891 0.853 . . . . 0.0 110.988 175.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.715 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER -123.77 89.44 3.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.832 0.825 . . . . 0.0 110.861 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 71.8 m -89.04 115.78 26.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.042 0.925 . . . . 0.0 110.963 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -167.36 1.46 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.145 0.974 . . . . 0.0 110.983 -176.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -64.1 -32.58 74.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.639 0.733 . . . . 0.0 111.26 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.2 p -72.23 -14.14 61.7 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -111.01 0.56 Allowed Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 1.8 m -137.54 156.77 47.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 122.002 0.906 . . . . 0.0 110.889 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.0 70.53 1.24 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.021 0.915 . . . . 0.0 111.063 -174.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.99 HG23 HG22 ' A' ' 7' ' ' VAL . 1.4 p -67.95 148.3 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.967 0.889 . . . . 0.0 111.091 -177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -115.59 68.63 0.72 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.467 1.127 . . . . 0.0 110.447 173.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.703 ' NE1' HG11 ' A' ' 16' ' ' VAL . 23.7 m95 -50.0 -21.48 1.24 Allowed 'General case' 0 C--O 1.245 0.841 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -174.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.02 -46.09 9.71 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.11 -15.59 57.2 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 121.808 -0.819 . . . . 0.0 112.518 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -38.66 23.33 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.862 0.839 . . . . 0.0 111.04 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -41.71 98.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 122.296 1.046 . . . . 0.0 110.608 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.27 -40.12 93.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.958 0.885 . . . . 0.0 111.043 179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.57 79.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.951 0.881 . . . . 0.0 110.954 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.31 -32.82 54.89 Favored Glycine 0 C--N 1.319 -0.38 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -35.22 72.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.844 0.83 . . . . 0.0 110.977 176.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -64.51 -51.0 65.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.094 0.949 . . . . 0.0 110.545 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -53.18 -35.5 59.89 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.006 0.908 . . . . 0.0 110.779 174.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.794 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -77.65 -39.76 44.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.851 0.834 . . . . 0.0 110.98 -175.609 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.89 33.44 4.24 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.875 0.845 . . . . 0.0 111.364 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -86.62 -58.2 2.7 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 122.005 0.907 . . . . 0.0 111.044 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.4 -63.07 0.8 Allowed Glycine 0 C--N 1.32 -0.337 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.27 -103.09 0.53 Allowed Glycine 0 C--N 1.32 -0.322 0 CA-C-O 122.732 1.185 . . . . 0.0 110.78 -175.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -131.88 -47.07 0.94 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.958 0.885 . . . . 0.0 110.995 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.06 -128.01 2.07 Favored Glycine 0 C--N 1.32 -0.317 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.21 166.97 21.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.751 0.786 . . . . 0.0 110.912 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 . . . . . 1 C--O 1.381 8.023 0 CA-C-O 121.811 0.815 . . . . 0.0 110.758 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.503 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 122.845 1.307 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.7 t80 72.42 88.95 0.1 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 123.127 1.441 . . . . 0.0 109.404 -172.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.493 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER -75.0 -103.95 0.01 OUTLIER 'General case' 0 C--O 1.251 1.166 0 CA-C-N 114.856 -1.065 . . . . 0.0 112.376 -170.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.93 -114.94 0.73 Allowed Glycine 0 C--N 1.317 -0.5 0 O-C-N 120.58 -1.325 . . . . 0.0 111.818 -172.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 43.8 m-20 -71.25 -10.7 60.19 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 122.032 -0.687 . . . . 0.0 112.648 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 145.77 47.79 0.03 OUTLIER Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.248 -0.908 . . . . 0.0 111.055 -174.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 16' ' ' VAL . 87.5 t -106.98 92.94 2.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.944 0.878 . . . . 0.0 110.917 179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 72.7 1.74 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.946 0.879 . . . . 0.0 111.166 -174.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 10' ' ' THR . 10.2 t -70.64 138.14 50.49 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.087 0.946 . . . . 0.0 110.918 174.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 9' ' ' CYS . 9.5 p -159.04 -114.3 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.193 -179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 26.7 10.26 Favored 'General case' 0 C--N 1.318 -0.794 0 O-C-N 121.387 -0.821 . . . . 0.0 111.642 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.4 p -136.41 18.75 3.14 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.391 -0.818 . . . . 0.0 111.795 174.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.66 139.97 3.5 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.2 m -56.3 102.51 0.08 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.826 0.822 . . . . 0.0 110.293 -174.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -101.61 80.6 2.07 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.084 0.945 . . . . 0.0 110.99 -173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 7' ' ' VAL . 97.3 t -66.51 100.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.774 0.797 . . . . 0.0 110.858 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.465 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -59.22 93.04 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.079 0.942 . . . . 0.0 110.794 176.157 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -59.32 -20.28 53.21 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.84 -40.58 9.4 Favored Glycine 0 N--CA 1.464 0.534 0 O-C-N 121.45 -0.781 . . . . 0.0 111.332 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.9 mp0 -66.38 -22.55 66.25 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 121.717 -0.872 . . . . 0.0 112.838 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -80.62 -37.44 31.11 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.129 0.966 . . . . 0.0 110.893 177.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.86 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.3 t80 -54.84 -54.27 44.54 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.336 1.065 . . . . 0.0 110.714 174.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.79 -36.84 77.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.919 0.866 . . . . 0.0 110.99 175.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -50.6 -49.32 56.8 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.278 1.037 . . . . 0.0 110.911 174.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.678 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -92.99 1.17 70.24 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.309 -0.869 . . . . 0.0 114.049 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 22' ' ' PHE . 58.5 t -71.83 -37.42 61.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 125.24 2.448 . . . . 0.0 106.719 165.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -72.67 -30.15 64.02 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 112.81 -1.995 . . . . 0.0 110.469 170.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.678 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -91.07 2.04 56.62 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.33 -0.548 . . . . 0.0 112.094 173.609 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' C ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -89.99 -43.75 10.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 122.105 0.955 . . . . 0.0 110.161 174.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 -90.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.949 0.881 . . . . 0.0 110.174 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 41.72 48.71 3.72 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.381 1.562 . . . . 0.0 111.412 175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.71 39.84 2.64 Favored Glycine 0 CA--C 1.51 -0.23 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.508 -174.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.66 0.19 12.24 Favored Glycine 0 C--O 1.243 0.659 0 O-C-N 122.035 -0.685 . . . . 0.0 113.374 174.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.69 -58.95 3.77 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.19 -1.183 . . . . 0.0 111.33 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.52 -147.45 11.0 Favored Glycine 0 N--CA 1.461 0.354 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -174.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.75 130.82 33.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.101 0.953 . . . . 0.0 110.97 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 t90 . . . . . 1 C--O 1.38 7.966 0 CA-C-O 121.999 0.904 . . . . 0.0 110.978 -176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 122.0 0.905 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -145.74 95.52 2.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.74 0.781 . . . . 0.0 111.308 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -57.78 -73.33 0.07 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.033 0.92 . . . . 0.0 110.934 -175.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.49 -112.01 0.64 Allowed Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.97 0.761 . . . . 0.0 111.264 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.602 ' O ' HG23 ' A' ' 7' ' ' VAL . 73.2 m-20 -73.22 91.51 1.68 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.495 0.664 . . . . 0.0 111.19 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 49.7 25.33 6.71 Favored Glycine 0 C--N 1.319 -0.374 0 CA-C-O 121.689 0.605 . . . . 0.0 111.915 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.07 HG22 HG23 ' A' ' 16' ' ' VAL . 55.8 t -97.33 87.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 121.557 -0.967 . . . . 0.0 110.986 -174.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.61 91.82 4.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.5 0.667 . . . . 0.0 110.527 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.7 m -105.38 -176.2 3.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 123.068 1.413 . . . . 0.0 111.989 -173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.63 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.6 OUTLIER 50.62 79.99 0.08 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.356 175.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -164.61 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.602 1.191 . . . . 0.0 110.791 174.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.5 p -119.13 -0.9 10.98 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 115.239 -0.892 . . . . 0.0 112.419 174.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.27 104.16 0.36 Allowed Glycine 0 N--CA 1.463 0.443 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.27 130.58 46.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.048 0.928 . . . . 0.0 111.016 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -169.15 136.6 1.84 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.894 0.855 . . . . 0.0 110.887 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.07 HG23 HG22 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -78.57 171.42 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 123.275 1.512 . . . . 0.0 112.034 -174.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -123.83 73.39 1.2 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.898 1.332 . . . . 0.0 109.6 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.517 ' CD1' ' CG1' ' A' ' 16' ' ' VAL . 26.0 m95 -52.41 -17.81 1.36 Allowed 'General case' 0 C--O 1.247 0.954 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.27 -49.15 9.73 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.05 -14.86 53.38 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 122.081 -0.658 . . . . 0.0 112.681 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.34 -33.36 23.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.974 0.892 . . . . 0.0 110.961 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.838 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 t80 -67.75 -42.3 82.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.796 0.808 . . . . 0.0 110.686 174.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 m -63.56 -42.22 98.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.981 0.896 . . . . 0.0 111.065 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.85 74.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.879 0.847 . . . . 0.0 110.927 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.86 -29.75 58.7 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.615 -0.594 . . . . 0.0 111.615 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 22' ' ' PHE . 88.5 t -64.86 -54.98 23.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 122.878 1.323 . . . . 0.0 110.883 174.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -50.42 -42.45 53.88 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.927 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -71.32 -29.38 64.95 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.821 0.82 . . . . 0.0 111.089 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.812 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -66.74 -37.07 83.92 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.813 0.816 . . . . 0.0 111.05 174.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.57 25.51 3.02 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.759 -0.588 . . . . 0.0 111.979 175.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -127.12 31.65 5.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.347 1.07 . . . . 0.0 110.619 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.65 70.84 0.37 Allowed Glycine 0 N--CA 1.46 0.265 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.77 -1.64 82.53 Favored Glycine 0 C--O 1.241 0.56 0 O-C-N 122.187 -0.596 . . . . 0.0 113.644 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.0 t30 50.59 76.71 0.14 Allowed 'General case' 0 C--N 1.318 -0.769 0 O-C-N 121.288 -1.124 . . . . 0.0 110.788 -174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.94 154.1 6.1 Favored Glycine 0 N--CA 1.46 0.24 0 CA-C-O 121.973 0.763 . . . . 0.0 111.32 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -121.54 99.14 6.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.901 0.858 . . . . 0.0 110.976 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 p90 . . . . . 1 C--O 1.38 7.959 0 CA-C-O 122.071 0.938 . . . . 0.0 110.95 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.968 0.89 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' CE1' ' NE2' ' A' ' 8' ' ' HIS . 23.7 t80 -107.29 78.27 1.21 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.571 0.7 . . . . 0.0 110.578 174.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' HB2' HG12 ' A' ' 7' ' ' VAL . 6.3 m-85 -46.29 117.44 1.57 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.861 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 5' ' ' ASN . . . -45.91 139.97 6.03 Favored Glycine 0 C--N 1.32 -0.339 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.7 t-20 89.15 48.21 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 122.446 1.117 . . . . 0.0 111.122 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.634 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . 62.48 18.94 59.48 Favored Glycine 0 C--O 1.244 0.747 0 N-CA-C 115.003 0.761 . . . . 0.0 115.003 172.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.67 HG22 HG23 ' A' ' 16' ' ' VAL . 16.9 t -99.46 149.63 5.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.203 -1.175 . . . . 0.0 111.271 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.416 ' NE2' ' CE1' ' A' ' 2' ' ' TYR . 0.9 OUTLIER -135.65 92.54 2.84 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.024 0.916 . . . . 0.0 111.042 175.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.08 158.28 15.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.411 1.101 . . . . 0.0 111.09 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 72.42 46.71 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.857 1.313 . . . . 0.0 110.648 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE3' ' HB3' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -149.57 81.91 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 123.438 1.59 . . . . 0.0 110.065 174.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p 46.6 30.76 1.19 Allowed 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 113.95 -1.477 . . . . 0.0 111.262 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.49 134.55 4.58 Favored Glycine 0 N--CA 1.464 0.501 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.61 124.9 10.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.623 0.725 . . . . 0.0 110.885 174.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 t -141.42 121.54 13.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.982 0.896 . . . . 0.0 110.918 -174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.67 HG23 HG22 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -98.14 151.19 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 122.492 1.139 . . . . 0.0 111.649 -174.424 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -109.94 70.9 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.944 0.878 . . . . 0.0 109.958 172.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.576 ' NE1' HG11 ' A' ' 16' ' ' VAL . 21.8 m95 -48.28 -23.92 1.04 Allowed 'General case' 0 C--O 1.247 0.926 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.637 ' O ' ' HB3' ' A' ' 22' ' ' PHE . . . -77.61 -55.22 4.3 Favored Glycine 0 N--CA 1.464 0.511 0 CA-C-O 122.374 0.985 . . . . 0.0 110.85 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -58.23 8.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 123.859 1.79 . . . . 0.0 110.023 -176.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB2' ' HA3' ' A' ' 6' ' ' GLY . . . -41.98 -43.83 3.28 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.378 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.637 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 7.7 t80 -52.22 -54.84 25.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.453 1.121 . . . . 0.0 110.784 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -62.76 -33.16 74.59 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.824 0.821 . . . . 0.0 111.011 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.38 -53.68 55.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.297 1.046 . . . . 0.0 110.915 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.14 -25.14 71.85 Favored Glycine 0 C--O 1.238 0.354 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.625 -175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.56 -44.28 79.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 122.045 0.926 . . . . 0.0 110.88 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -59.01 -39.74 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.686 0.755 . . . . 0.0 111.079 178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -81.34 -29.78 34.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.572 0.701 . . . . 0.0 111.657 177.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -63.2 -64.48 0.9 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.991 0.9 . . . . 0.0 110.77 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.59 -55.71 5.62 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.748 1.261 . . . . 0.0 110.802 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 40.89 76.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 123.601 1.667 . . . . 0.0 110.594 -174.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.11 -34.07 88.94 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.701 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.95 104.01 0.54 Allowed Glycine 0 C--N 1.32 -0.35 0 CA-C-O 122.65 1.139 . . . . 0.0 110.819 174.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -97.39 -33.18 11.51 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.933 0.873 . . . . 0.0 110.898 178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.73 -145.52 13.32 Favored Glycine 0 C--N 1.32 -0.309 0 CA-C-O 122.193 0.885 . . . . 0.0 111.591 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -99.51 84.44 2.97 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.888 0.851 . . . . 0.0 111.24 -174.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.6 t90 . . . . . 1 C--O 1.38 7.921 0 CA-C-O 122.061 0.934 . . . . 0.0 110.902 -174.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.932 0.872 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.594 ' C ' ' HD1' ' A' ' 3' ' ' TYR . 1.3 m-85 -128.96 156.96 42.94 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.812 0.815 . . . . 0.0 111.099 -178.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.594 ' HD1' ' C ' ' A' ' 2' ' ' TYR . 3.5 m-30 -132.12 27.4 4.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.497 0.665 . . . . 0.0 111.462 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 158.27 0.58 Allowed Glycine 0 C--N 1.32 -0.334 0 CA-C-O 122.191 0.884 . . . . 0.0 111.432 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.3 m120 57.61 40.32 26.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.977 0.894 . . . . 0.0 111.043 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.28 48.89 71.77 Favored Glycine 0 C--N 1.321 -0.283 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 16' ' ' VAL . 55.4 t -111.68 136.06 48.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.881 0.848 . . . . 0.0 111.027 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.08 128.9 18.36 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.065 0.936 . . . . 0.0 111.054 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -89.7 99.67 12.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 122.261 1.029 . . . . 0.0 110.917 -176.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -166.64 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.005 0.907 . . . . 0.0 110.934 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -73.18 -33.15 65.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.672 0.749 . . . . 0.0 111.185 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -105.85 25.86 10.35 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.691 -0.63 . . . . 0.0 112.252 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 129.93 -151.65 19.42 Favored Glycine 0 N--CA 1.462 0.417 0 O-C-N 121.329 -0.857 . . . . 0.0 111.312 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -119.69 135.72 54.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.076 0.941 . . . . 0.0 111.12 -174.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.41 136.96 26.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.836 0.827 . . . . 0.0 110.931 -174.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 7' ' ' VAL . 62.8 t -94.28 111.92 26.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.475 0.655 . . . . 0.0 111.414 -174.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.14 107.19 3.1 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.769 0.795 . . . . 0.0 110.384 173.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -82.5 26.43 0.56 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -175.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.71 -51.83 0.19 Allowed Glycine 0 N--CA 1.465 0.589 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 172.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -64.54 -17.77 64.23 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.542 0.686 . . . . 0.0 112.406 173.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.57 -40.21 35.43 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.948 0.88 . . . . 0.0 110.952 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.747 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.0 t80 -58.68 -40.41 83.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.793 0.806 . . . . 0.0 110.81 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -69.63 -35.22 75.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.981 0.896 . . . . 0.0 111.1 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.957 0.884 . . . . 0.0 111.075 175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.39 -28.58 57.54 Favored Glycine 0 C--O 1.238 0.38 0 CA-C-O 121.688 0.604 . . . . 0.0 111.648 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 22' ' ' PHE . 94.2 t -63.49 -55.72 21.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 122.644 1.211 . . . . 0.0 110.612 174.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -46.86 -47.96 21.17 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.905 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -44.01 84.96 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 122.093 0.949 . . . . 0.0 110.863 174.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.92 -35.28 76.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.824 0.821 . . . . 0.0 111.032 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 35.32 3.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.084 0.945 . . . . 0.0 111.137 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -107.29 -35.72 6.73 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.84 0.829 . . . . 0.0 111.107 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.8 58.5 0.02 OUTLIER Glycine 0 N--CA 1.461 0.34 0 CA-C-O 122.046 0.803 . . . . 0.0 111.119 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.38 12.57 1.38 Allowed Glycine 0 C--N 1.32 -0.318 0 O-C-N 122.091 -0.652 . . . . 0.0 113.859 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -70.33 -67.75 0.47 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.849 0.833 . . . . 0.0 111.301 -174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.7 130.04 2.15 Favored Glycine 0 C--N 1.32 -0.326 0 CA-C-O 122.002 0.779 . . . . 0.0 111.184 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -134.05 45.61 2.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 122.046 0.927 . . . . 0.0 110.888 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 1 C--O 1.381 8.003 0 CA-C-O 121.96 0.886 . . . . 0.0 111.08 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.96 0.886 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.738 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 37.5 t80 -138.08 86.43 2.17 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.677 0.751 . . . . 0.0 111.233 -175.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.722 ' CE1' ' HB2' ' A' ' 9' ' ' CYS . 82.2 m-85 -55.78 145.57 23.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.092 0.948 . . . . 0.0 110.773 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.82 145.38 33.14 Favored Glycine 0 C--N 1.321 -0.276 0 CA-C-O 122.054 0.808 . . . . 0.0 111.814 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 75.2 46.98 0.11 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 122.04 0.924 . . . . 0.0 111.542 174.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 58.81 10.99 Favored Glycine 0 C--O 1.238 0.361 0 CA-C-O 121.926 0.737 . . . . 0.0 113.485 173.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.71 ' CG2' HG23 ' A' ' 16' ' ' VAL . 2.6 t -129.92 130.27 66.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 O-C-N 121.6 -0.941 . . . . 0.0 110.676 173.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.738 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.3 OUTLIER -121.91 109.3 14.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.827 0.822 . . . . 0.0 111.86 175.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.722 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 1.2 m -90.47 91.16 8.33 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.512 171.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 11' ' ' LYS . 2.4 t -126.11 -112.13 0.29 Allowed 'General case' 0 C--O 1.24 0.557 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -170.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.556 ' HG3' ' H ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -41.05 -61.14 1.04 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 122.245 1.021 . . . . 0.0 112.929 -170.279 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.556 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 66.2 p 176.62 37.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.089 0.947 . . . . 0.0 111.026 -174.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.9 0.33 Allowed Glycine 0 CA--C 1.522 0.478 0 CA-C-O 122.755 1.197 . . . . 0.0 112.647 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m 45.37 82.03 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.471 -0.865 . . . . 0.0 110.795 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 99.1 p -153.08 179.69 8.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 122.318 1.056 . . . . 0.0 111.711 -173.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG23 ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -110.88 152.98 12.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 122.878 1.323 . . . . 0.0 112.755 -174.246 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.08 75.81 1.01 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.992 1.377 . . . . 0.0 109.003 170.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CE2' HG11 ' A' ' 16' ' ' VAL . 24.1 m95 -49.19 -20.5 0.61 Allowed 'General case' 0 C--O 1.248 0.98 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -171.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.77 -53.66 5.76 Favored Glycine 0 C--N 1.317 -0.496 0 CA-C-O 122.327 0.959 . . . . 0.0 110.746 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.32 -20.13 65.9 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.902 -0.764 . . . . 0.0 112.844 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.89 -36.33 31.35 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 122.004 0.907 . . . . 0.0 110.625 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -60.81 -38.45 85.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.965 0.888 . . . . 0.0 110.581 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.1 m -62.69 -45.54 92.29 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.815 0.817 . . . . 0.0 110.961 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -41.57 65.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.995 0.902 . . . . 0.0 110.947 174.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.74 -26.49 58.63 Favored Glycine 0 C--O 1.238 0.385 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.991 -178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.08 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.178 0.989 . . . . 0.0 110.875 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -43.89 91.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.079 0.942 . . . . 0.0 110.843 174.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -72.87 -28.31 62.42 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.646 0.736 . . . . 0.0 111.354 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.4 -49.22 35.35 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.879 0.847 . . . . 0.0 111.057 177.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.51 0.87 36.04 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -175.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -54.15 -53.38 54.13 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.181 -0.949 . . . . 0.0 110.851 174.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.37 67.28 1.87 Allowed Glycine 0 C--N 1.321 -0.271 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.75 -102.49 0.64 Allowed Glycine 0 C--N 1.319 -0.369 0 CA-C-O 122.909 1.283 . . . . 0.0 110.642 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -41.68 19.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 122.034 0.921 . . . . 0.0 111.354 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.44 -119.45 4.29 Favored Glycine 0 C--N 1.32 -0.345 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -76.38 -7.25 54.62 Favored 'General case' 0 C--O 1.243 0.744 0 O-C-N 121.767 -0.843 . . . . 0.0 112.707 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER . . . . . 1 C--O 1.382 8.028 0 CA-C-O 121.855 0.836 . . . . 0.0 111.471 -178.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.2 tttt . . . . . 0 CA--C 1.51 -0.565 0 CA-C-O 121.952 0.882 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.505 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.8 OUTLIER -71.81 130.83 42.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.831 0.824 . . . . 0.0 110.947 174.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.623 ' HD2' ' O ' ' A' ' 7' ' ' VAL . 23.1 m-85 -119.49 79.03 1.37 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.692 0.758 . . . . 0.0 111.146 -176.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.91 -114.5 4.22 Favored Glycine 0 C--N 1.319 -0.385 0 CA-C-O 122.045 0.803 . . . . 0.0 111.466 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.482 ' OD1' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -61.48 -30.31 70.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 122.332 1.063 . . . . 0.0 112.577 -175.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.505 ' HA2' ' CE1' ' A' ' 2' ' ' TYR . . . 135.79 41.59 0.13 Allowed Glycine 0 C--O 1.239 0.453 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.542 -176.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.859 HG13 HG22 ' A' ' 16' ' ' VAL . 71.5 t -92.66 68.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 122.533 1.159 . . . . 0.0 110.062 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -64.54 167.16 7.47 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 122.141 0.972 . . . . 0.0 111.331 -172.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -147.27 100.66 3.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.98 0.895 . . . . 0.0 110.741 174.391 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.58 -91.11 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 123.107 1.432 . . . . 0.0 110.67 -175.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.623 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -161.94 -41.26 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 122.547 1.165 . . . . 0.0 110.487 -174.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.623 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 88.5 p -77.63 -4.25 45.04 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.276 174.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.15 157.3 7.26 Favored Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER -63.04 156.37 24.99 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.982 0.896 . . . . 0.0 111.017 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 t -154.55 79.28 1.09 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.051 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.859 HG22 HG13 ' A' ' 7' ' ' VAL . 41.9 t -62.31 150.84 8.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 122.114 0.959 . . . . 0.0 111.135 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 1.6 t-20 -116.82 90.15 3.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.994 0.902 . . . . 0.0 110.692 174.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -68.43 -2.28 8.27 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.72 -41.28 2.53 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.195 -0.941 . . . . 0.0 111.087 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 4.0 mt-10 -65.14 -16.18 63.22 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 122.009 -0.701 . . . . 0.0 112.81 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.44 -36.6 20.53 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 122.034 0.921 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.868 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -61.65 -49.87 74.79 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 122.19 0.995 . . . . 0.0 110.714 174.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -38.11 86.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.819 0.819 . . . . 0.0 111.167 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . . . -52.13 -48.88 64.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.529 1.157 . . . . 0.0 110.948 176.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.4 -21.07 76.11 Favored Glycine 0 C--O 1.24 0.494 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.42 -176.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 22' ' ' PHE . 94.7 t -66.72 -58.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 122.222 1.011 . . . . 0.0 111.266 174.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' ' 24' ' ' ALA . 3.8 p-80 -61.6 -26.95 68.3 Favored 'General case' 0 CA--C 1.511 -0.519 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.382 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.86 -33.2 62.08 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.542 1.163 . . . . 0.0 110.263 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.778 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.91 -39.18 91.11 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.902 0.858 . . . . 0.0 110.74 174.068 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.05 29.92 2.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.435 0.636 . . . . 0.0 111.668 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -139.7 60.23 1.57 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 122.003 0.906 . . . . 0.0 110.873 174.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.41 -85.99 0.04 OUTLIER Glycine 0 N--CA 1.461 0.342 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.27 -104.56 1.71 Allowed Glycine 0 C--N 1.32 -0.346 0 CA-C-O 122.962 1.312 . . . . 0.0 110.408 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.9 33.97 1.27 Allowed 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 123.922 0.889 . . . . 0.0 111.912 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.27 173.08 51.6 Favored Glycine 0 C--N 1.32 -0.346 0 CA-C-O 122.031 0.795 . . . . 0.0 111.376 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -140.28 159.13 42.88 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.94 0.876 . . . . 0.0 111.023 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 20.7 t90 . . . . . 1 C--O 1.38 7.942 0 CA-C-O 122.093 0.949 . . . . 0.0 110.965 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.009 0.909 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.661 ' HE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -92.99 152.24 19.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.665 0.745 . . . . 0.0 110.667 174.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -124.9 -78.43 0.6 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.611 0.719 . . . . 0.0 111.302 -174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.66 -146.28 17.24 Favored Glycine 0 C--N 1.32 -0.34 0 CA-C-O 122.085 0.825 . . . . 0.0 111.866 -174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -16.87 61.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.798 -0.825 . . . . 0.0 112.779 -175.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.661 ' HA2' ' HE1' ' A' ' 2' ' ' TYR . . . 174.25 40.68 0.05 OUTLIER Glycine 0 C--N 1.319 -0.411 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -175.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 16' ' ' VAL . 54.4 t -109.37 147.56 13.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.922 0.867 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.7 79.17 1.88 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.076 0.941 . . . . 0.0 110.916 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.89 130.74 45.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.291 1.043 . . . . 0.0 111.004 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.92 -84.3 0.66 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.046 1.403 . . . . 0.0 110.623 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.79 -37.86 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.754 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.9 p -122.61 30.6 6.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.668 0.747 . . . . 0.0 111.199 174.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.07 -97.04 0.37 Allowed Glycine 0 C--N 1.32 -0.353 0 CA-C-O 122.914 1.285 . . . . 0.0 110.709 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.1 m 62.2 98.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 122.998 1.38 . . . . 0.0 111.688 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.1 p -166.07 129.9 2.15 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.755 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.955 HG22 HG22 ' A' ' 7' ' ' VAL . 36.1 t -93.71 116.73 35.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.866 0.841 . . . . 0.0 111.6 -174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.585 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 2.0 t-20 -78.85 84.66 4.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.164 0.983 . . . . 0.0 110.265 173.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -49.41 -25.67 2.71 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.79 -173.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.15 -41.8 6.12 Favored Glycine 0 N--CA 1.464 0.517 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -69.03 -9.09 50.73 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.678 -0.895 . . . . 0.0 112.709 174.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.924 0.868 . . . . 0.0 110.944 174.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.857 ' O ' HG23 ' A' ' 26' ' ' VAL . 14.2 t80 -68.78 -35.09 76.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.981 0.896 . . . . 0.0 110.977 174.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -69.62 -35.8 75.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.854 0.835 . . . . 0.0 111.008 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -42.58 98.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.074 0.94 . . . . 0.0 110.973 175.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.27 -28.77 67.44 Favored Glycine 0 C--O 1.238 0.383 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.857 HG23 ' O ' ' A' ' 22' ' ' PHE . 86.6 t -66.53 -54.78 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 122.874 1.321 . . . . 0.0 110.482 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -45.62 -44.3 13.01 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.487 174.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -78.03 -34.05 50.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 122.02 0.914 . . . . 0.0 111.15 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -49.86 76.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.854 0.835 . . . . 0.0 110.913 -179.042 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.81 29.31 3.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.529 0.68 . . . . 0.0 111.471 -176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -80.66 -31.94 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 122.109 0.957 . . . . 0.0 110.748 174.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.06 -41.26 2.28 Favored Glycine 0 CA--C 1.509 -0.322 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 69.94 22.91 77.23 Favored Glycine 0 N--CA 1.464 0.515 0 O-C-N 121.733 -0.863 . . . . 0.0 113.15 -174.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -49.2 -27.17 3.4 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.587 0.708 . . . . 0.0 111.535 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.07 158.43 10.1 Favored Glycine 0 C--N 1.32 -0.322 0 CA-C-O 122.2 0.889 . . . . 0.0 111.58 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.35 82.94 3.76 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.911 0.863 . . . . 0.0 110.944 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 1 C--O 1.38 7.953 0 CA-C-O 122.327 1.061 . . . . 0.0 110.99 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.683 ' HD2' ' N ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.58 0 CA-C-O 121.941 0.877 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.683 ' N ' ' HD2' ' A' ' 1' ' ' LYS . 24.8 t80 -99.76 104.05 15.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.983 0.897 . . . . 0.0 111.122 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.736 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 62.7 m-85 -78.4 177.9 8.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.94 0.876 . . . . 0.0 110.957 -178.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 161.31 37.39 Favored Glycine 0 C--N 1.32 -0.347 0 CA-C-O 122.133 0.852 . . . . 0.0 111.524 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 63.76 47.6 3.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.973 0.892 . . . . 0.0 111.155 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.63 52.81 39.49 Favored Glycine 0 C--N 1.32 -0.341 0 CA-C-O 121.806 0.67 . . . . 0.0 112.138 174.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.032 HG22 HG22 ' A' ' 16' ' ' VAL . 11.3 t -119.36 144.44 27.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 121.77 -0.841 . . . . 0.0 110.753 174.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -136.92 94.66 2.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.079 0.942 . . . . 0.0 111.467 -174.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.736 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . 3.9 m -90.97 156.76 17.72 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.053 0.93 . . . . 0.0 110.853 174.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.19 153.72 0.1 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.838 0.828 . . . . 0.0 110.778 -174.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.33 90.34 0.07 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.11 0.957 . . . . 0.0 110.568 -174.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 p 79.24 0.42 2.32 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 124.632 1.173 . . . . 0.0 112.417 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.91 172.78 39.16 Favored Glycine 0 C--N 1.318 -0.424 0 O-C-N 120.93 -1.107 . . . . 0.0 111.532 173.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 m -72.04 135.34 46.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.651 0.738 . . . . 0.0 110.999 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.75 138.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.057 0.932 . . . . 0.0 111.235 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.032 HG22 HG22 ' A' ' 7' ' ' VAL . 93.3 t -96.79 135.88 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.951 0.881 . . . . 0.0 110.966 -175.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -66.98 -18.95 65.62 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.759 ' H ' HG12 ' A' ' 16' ' ' VAL . 83.5 m95 27.09 44.51 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 124.977 1.311 . . . . 0.0 112.928 -172.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.64 -51.01 0.02 OUTLIER Glycine 0 N--CA 1.462 0.39 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.42 -20.05 66.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.352 1.073 . . . . 0.0 112.019 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -72.19 -47.95 46.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.104 0.954 . . . . 0.0 110.798 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -51.53 -46.51 63.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 122.076 0.941 . . . . 0.0 110.895 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.488 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.1 t -71.03 -29.29 65.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.82 0.819 . . . . 0.0 111.187 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . -61.09 -41.16 96.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.026 0.917 . . . . 0.0 110.92 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.56 -41.08 21.11 Favored Glycine 0 C--N 1.319 -0.365 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 23' ' ' SER . 0.3 OUTLIER -56.2 -45.09 80.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 122.027 0.917 . . . . 0.0 110.979 174.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -55.64 -49.48 72.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.961 0.886 . . . . 0.0 110.983 175.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.23 -37.22 69.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.988 0.899 . . . . 0.0 110.913 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.781 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -61.94 -36.24 80.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.898 0.856 . . . . 0.0 110.912 177.247 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.86 61.66 0.73 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 122.756 1.265 . . . . 0.0 110.974 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -130.13 67.23 1.47 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.01 -34.03 57.76 Favored Glycine 0 CA--C 1.509 -0.326 0 N-CA-C 111.366 -0.693 . . . . 0.0 111.366 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.67 10.41 57.89 Favored Glycine 0 N--CA 1.46 0.275 0 O-C-N 121.606 -0.938 . . . . 0.0 113.539 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.31 3.51 12.86 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 121.767 -0.843 . . . . 0.0 112.968 -173.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.96 -162.04 23.51 Favored Glycine 0 C--N 1.318 -0.439 0 O-C-N 121.098 -1.001 . . . . 0.0 111.936 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.6 29.1 3.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.858 0.837 . . . . 0.0 110.854 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.2 t90 . . . . . 1 C--O 1.381 7.979 0 CA-C-O 121.922 0.868 . . . . 0.0 111.138 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.675 ' CG ' ' HE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 122.014 0.911 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.679 ' O ' ' HD1' ' A' ' 3' ' ' TYR . 2.7 t80 -71.2 157.57 37.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.675 0.75 . . . . 0.0 111.056 -175.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.679 ' HD1' ' O ' ' A' ' 2' ' ' TYR . 6.5 m-30 -133.94 63.58 1.62 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.063 0.935 . . . . 0.0 111.512 -174.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' A' ' 2' ' ' TYR . . . 70.59 -112.35 4.24 Favored Glycine 0 CA--C 1.508 -0.353 0 CA-C-O 122.417 1.009 . . . . 0.0 113.787 173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.738 ' ND2' ' HB1' ' A' ' 21' ' ' ALA . 60.6 t30 -50.45 -26.53 5.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -173.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.507 ' HA2' ' CZ ' ' A' ' 2' ' ' TYR . . . 129.9 66.9 0.11 Allowed Glycine 0 C--N 1.319 -0.365 0 CA-C-O 122.237 0.91 . . . . 0.0 111.036 -174.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.978 HG22 ' CG2' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -125.62 94.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 122.715 1.245 . . . . 0.0 110.478 176.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.461 ' NE2' ' CE1' ' A' ' 2' ' ' TYR . 1.9 m80 -92.99 83.94 4.81 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.093 -174.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.668 ' SG ' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -109.77 139.95 44.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.894 0.854 . . . . 0.0 110.834 174.393 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.506 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 3.0 p -122.55 24.59 9.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.369 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' THR . 1.4 tttp 93.53 -56.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.625 1.57 . . . . 0.0 111.885 175.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.7 p -76.33 -8.31 56.84 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.853 -174.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.64 112.37 0.26 Allowed Glycine 0 C--N 1.319 -0.407 0 O-C-N 121.205 -0.934 . . . . 0.0 111.079 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 41.3 t -92.39 148.77 21.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.71 0.766 . . . . 0.0 110.852 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.7 m -144.77 71.92 1.32 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 122.145 0.974 . . . . 0.0 110.935 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.978 ' CG2' HG22 ' A' ' 7' ' ' VAL . 57.4 t -58.47 124.62 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.864 0.84 . . . . 0.0 110.956 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -82.95 81.36 8.68 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 122.181 0.991 . . . . 0.0 110.647 174.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -61.29 -15.34 34.43 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.48 -48.8 3.87 Favored Glycine 0 N--CA 1.464 0.513 0 O-C-N 121.31 -0.869 . . . . 0.0 111.454 -179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -14.16 40.88 Favored 'General case' 0 C--N 1.32 -0.714 0 O-C-N 121.666 -0.902 . . . . 0.0 112.897 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.738 ' HB1' ' ND2' ' A' ' 5' ' ' ASN . . . -81.91 -43.45 18.12 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.845 0.831 . . . . 0.0 111.07 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -60.92 -42.13 97.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.967 0.889 . . . . 0.0 110.867 175.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -69.27 -34.81 75.33 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.997 0.903 . . . . 0.0 111.052 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.68 87.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.987 0.899 . . . . 0.0 111.008 175.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.95 -37.15 16.67 Favored Glycine 0 C--N 1.32 -0.322 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.1 t -63.57 -34.14 65.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.982 0.896 . . . . 0.0 110.871 174.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -62.57 -55.33 28.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.957 0.884 . . . . 0.0 110.817 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -55.47 -34.64 64.71 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 122.007 0.908 . . . . 0.0 110.979 175.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.807 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -72.95 -40.95 64.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.951 0.882 . . . . 0.0 111.015 -178.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.82 33.69 3.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.711 0.767 . . . . 0.0 111.545 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -101.03 -43.89 5.89 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.972 0.892 . . . . 0.0 110.896 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.52 45.15 55.48 Favored Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.5 1.61 88.46 Favored Glycine 0 C--O 1.242 0.651 0 O-C-N 121.965 -0.726 . . . . 0.0 113.733 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -94.4 -35.46 12.34 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.267 -1.137 . . . . 0.0 111.091 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.14 -112.17 3.1 Favored Glycine 0 CA--C 1.509 -0.295 0 CA-C-O 121.966 0.759 . . . . 0.0 111.846 -174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.77 143.53 31.58 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.832 -0.805 . . . . 0.0 111.088 -174.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.3 t90 . . . . . 1 C--O 1.38 7.937 0 CA-C-O 121.946 0.879 . . . . 0.0 110.902 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.55 0 CA-C-O 122.007 0.908 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.75 ' HE1' ' NE2' ' A' ' 8' ' ' HIS . 4.8 t80 -73.08 172.78 10.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.909 0.862 . . . . 0.0 111.053 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.564 ' HB2' HG12 ' A' ' 7' ' ' VAL . 11.8 m-85 -148.85 175.73 11.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.893 0.854 . . . . 0.0 110.939 175.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 150.58 41.79 Favored Glycine 0 C--N 1.32 -0.312 0 CA-C-O 122.049 0.805 . . . . 0.0 111.22 176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 70.39 37.31 1.56 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.861 0.839 . . . . 0.0 110.927 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.28 43.29 64.52 Favored Glycine 0 C--N 1.32 -0.327 0 CA-C-O 121.897 0.721 . . . . 0.0 111.439 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.908 HG22 HG22 ' A' ' 16' ' ' VAL . 1.5 t -100.55 151.4 5.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.996 0.903 . . . . 0.0 110.999 174.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.75 ' NE2' ' HE1' ' A' ' 2' ' ' TYR . 0.2 OUTLIER -148.22 98.15 2.87 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.803 0.811 . . . . 0.0 111.063 175.16 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.604 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 7.0 m -86.79 137.7 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.712 0.768 . . . . 0.0 110.679 174.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.558 HG22 ' N ' ' A' ' 11' ' ' LYS . 18.7 m -147.66 -101.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.133 0.492 . . . . 0.0 111.865 -173.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.558 ' N ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -45.1 -54.19 7.06 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.258 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.1 p -173.54 76.65 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 O-C-N 121.18 -0.95 . . . . 0.0 111.241 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 9' ' ' CYS . . . 126.51 -146.12 16.12 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -174.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.7 m -137.69 147.11 44.57 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 122.203 1.002 . . . . 0.0 111.241 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.1 94.14 3.64 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.991 0.9 . . . . 0.0 110.786 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.908 HG22 HG22 ' A' ' 7' ' ' VAL . 9.0 t -76.63 126.9 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.03 0.919 . . . . 0.0 111.832 -174.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -84.82 93.39 8.48 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 122.018 0.913 . . . . 0.0 110.225 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -70.39 2.27 4.06 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.44 -34.96 5.12 Favored Glycine 0 C--N 1.318 -0.469 0 O-C-N 121.063 -1.023 . . . . 0.0 111.512 173.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.5 OUTLIER -75.83 -22.41 56.3 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.618 -0.931 . . . . 0.0 112.638 177.036 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -74.7 -36.82 62.73 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.522 1.153 . . . . 0.0 110.126 173.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -54.34 -64.61 0.77 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 122.315 1.055 . . . . 0.0 110.422 173.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -56.13 -34.27 65.93 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.349 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . -50.46 -64.31 0.85 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.323 1.058 . . . . 0.0 110.873 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.706 ' HA2' ' HB2' ' A' ' 28' ' ' ARG . . . -87.85 -1.38 82.63 Favored Glycine 0 C--O 1.242 0.631 0 O-C-N 121.458 -0.776 . . . . 0.0 113.905 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -28.83 29.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 123.262 1.506 . . . . 0.0 107.615 166.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -81.91 -25.93 34.53 Favored 'General case' 0 C--O 1.247 0.939 0 CA-C-N 114.563 -1.198 . . . . 0.0 110.202 169.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.706 ' HB2' ' HA2' ' A' ' 25' ' ' GLY . 1.0 OUTLIER -75.35 -28.26 59.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.704 0.764 . . . . 0.0 110.127 172.245 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -76.64 -44.82 32.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 122.026 0.917 . . . . 0.0 110.756 176.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 35.62 2.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.017 0.913 . . . . 0.0 111.123 -176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -78.45 -71.04 0.45 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.075 0.94 . . . . 0.0 110.963 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.31 81.92 0.33 Allowed Glycine 0 C--N 1.32 -0.332 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -174.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.07 87.52 0.11 Allowed Glycine 0 C--N 1.32 -0.326 0 CA-C-O 123.141 1.412 . . . . 0.0 110.553 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -85.75 -32.12 22.03 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 114.325 -0.937 . . . . 0.0 111.079 177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.31 -47.41 43.02 Favored Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -53.93 147.19 12.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.911 0.862 . . . . 0.0 110.834 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 1 C--O 1.38 7.94 0 CA-C-O 121.998 0.904 . . . . 0.0 110.855 -178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.528 ' HE2' ' HB3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.498 0 CA-C-O 122.18 0.99 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.5 t80 65.03 146.48 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.391 1.091 . . . . 0.0 110.961 -174.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.421 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 20.1 m-85 -145.51 172.22 13.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.808 0.813 . . . . 0.0 110.873 -175.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 1.68 18.99 Favored Glycine 0 C--O 1.242 0.655 0 N-CA-C 115.307 0.883 . . . . 0.0 115.307 -172.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -131.24 38.22 3.66 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.3 -1.118 . . . . 0.0 110.743 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 48.97 36.26 19.98 Favored Glycine 0 C--N 1.321 -0.295 0 CA-C-O 121.899 0.722 . . . . 0.0 111.576 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.65 HG22 HG22 ' A' ' 16' ' ' VAL . 9.0 t -95.77 93.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 122.04 0.924 . . . . 0.0 110.916 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -95.04 108.14 20.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.296 1.046 . . . . 0.0 111.251 -174.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 122.57 43.59 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.9 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.17 159.92 41.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 122.28 1.038 . . . . 0.0 111.888 174.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 4.4 ptmt 48.61 45.09 21.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.33 1.062 . . . . 0.0 112.097 173.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 86.9 p 53.97 75.21 0.28 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 123.147 1.451 . . . . 0.0 110.276 177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.73 162.28 10.83 Favored Glycine 0 C--O 1.24 0.476 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 157.8 33.53 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 122.869 1.319 . . . . 0.0 111.835 -174.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 83.68 1.6 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 122.144 0.973 . . . . 0.0 110.342 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 HG22 ' A' ' 7' ' ' VAL . 96.8 t -71.7 145.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.698 1.237 . . . . 0.0 112.3 -173.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -95.67 107.75 19.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.133 173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -76.12 11.53 1.45 Allowed 'General case' 0 C--O 1.249 1.033 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.56 -46.58 1.64 Allowed Glycine 0 C--N 1.317 -0.513 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -27.17 69.05 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.374 1.083 . . . . 0.0 112.451 174.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 -32.86 48.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.068 0.937 . . . . 0.0 110.908 177.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.846 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -56.94 -57.09 14.05 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.433 1.111 . . . . 0.0 110.64 174.373 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -42.53 88.9 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 121.761 0.791 . . . . 0.0 111.146 178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 28' ' ' ARG . . . -52.6 -50.12 63.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 122.212 1.006 . . . . 0.0 110.887 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.61 -19.85 72.67 Favored Glycine 0 C--O 1.241 0.554 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.766 -174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 22' ' ' PHE . 85.5 t -68.64 -61.77 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 122.246 1.022 . . . . 0.0 111.356 174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 24' ' ' ALA . 3.4 p-80 -58.84 -26.41 64.16 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.295 176.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 2.7 ttm180 -72.48 -37.33 68.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 122.256 1.027 . . . . 0.0 110.31 173.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -58.42 -37.45 75.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.807 0.813 . . . . 0.0 110.47 174.294 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.7 42.38 1.41 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 122.398 1.094 . . . . 0.0 110.985 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -80.69 -43.93 19.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.087 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -73.53 -38.55 51.62 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.91 104.96 2.95 Favored Glycine 0 C--N 1.321 -0.304 0 CA-C-O 122.629 1.127 . . . . 0.0 110.878 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -118.58 -40.79 2.86 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 121.936 0.874 . . . . 0.0 111.042 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.0 106.98 0.65 Allowed Glycine 0 C--N 1.32 -0.321 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -90.55 161.63 15.38 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.972 0.891 . . . . 0.0 111.054 -176.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 C--O 1.382 8.046 0 CA-C-O 121.788 0.804 . . . . 0.0 111.187 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mppp? . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 121.685 0.755 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -91.33 -5.57 54.38 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.473 ' HE2' ' HB2' ' A' ' 9' ' ' CYS . 5.4 m-85 51.48 -172.3 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 122.709 1.242 . . . . 0.0 111.951 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.03 -177.55 22.17 Favored Glycine 0 N--CA 1.46 0.283 0 O-C-N 121.36 -0.837 . . . . 0.0 111.891 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 31.71 61.87 0.28 Allowed 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 125.609 1.563 . . . . 0.0 113.287 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.05 56.8 14.94 Favored Glycine 0 CA--C 1.509 -0.32 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.891 173.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG13 ' SG ' ' A' ' 9' ' ' CYS . 2.4 t -124.28 160.14 29.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 121.736 -0.861 . . . . 0.0 110.564 173.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.7 m80 -156.01 99.25 1.95 Allowed 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.589 -0.694 . . . . 0.0 110.69 174.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 14' ' ' CYS . 9.8 m -130.33 172.05 12.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 122.254 1.026 . . . . 0.0 111.223 -176.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.49 40.05 17.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.335 1.064 . . . . 0.0 110.901 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.647 ' HG3' ' N ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -132.33 -56.51 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 122.032 0.92 . . . . 0.0 110.941 174.714 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.647 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 88.0 p -148.09 33.9 0.82 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 122.052 0.93 . . . . 0.0 110.823 174.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.11 126.08 5.6 Favored Glycine 0 C--N 1.321 -0.301 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 9' ' ' CYS . 52.2 t -62.19 137.04 58.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.947 0.88 . . . . 0.0 110.953 -177.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.94 110.39 2.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.985 0.898 . . . . 0.0 111.091 -175.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.69 HG11 ' NE1' ' A' ' 18' ' ' TRP . 4.5 p -81.45 122.07 35.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.79 0.805 . . . . 0.0 111.582 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.556 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -91.05 69.88 6.28 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.464 1.126 . . . . 0.0 109.967 172.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.69 ' NE1' HG11 ' A' ' 16' ' ' VAL . 22.4 m95 -47.4 -23.69 0.65 Allowed 'General case' 0 C--O 1.244 0.775 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -174.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.42 -48.65 10.38 Favored Glycine 0 N--CA 1.464 0.524 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mm-40 -54.69 -23.0 15.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.869 0.842 . . . . 0.0 112.813 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.51 59.84 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.896 0.855 . . . . 0.0 110.924 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.858 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.7 t80 -62.99 -30.64 71.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.705 0.764 . . . . 0.0 110.929 174.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t -73.0 -34.01 66.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.026 0.917 . . . . 0.0 111.072 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.63 -36.88 85.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.969 0.89 . . . . 0.0 110.976 174.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.18 -28.68 65.81 Favored Glycine 0 C--O 1.237 0.339 0 CA-C-O 121.695 0.608 . . . . 0.0 111.623 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 22' ' ' PHE . 80.0 t -66.07 -53.67 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 122.986 1.374 . . . . 0.0 110.649 174.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -47.56 -42.61 24.01 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.31 174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -67.98 -38.69 82.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 122.003 0.906 . . . . 0.0 110.931 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.747 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -59.26 -25.01 63.7 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.364 0.602 . . . . 0.0 111.547 175.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.13 37.93 1.47 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 122.26 1.029 . . . . 0.0 111.248 176.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -132.5 -67.58 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.982 0.896 . . . . 0.0 111.024 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.37 -51.42 1.13 Allowed Glycine 0 C--N 1.321 -0.298 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.44 22.13 52.04 Favored Glycine 0 N--CA 1.464 0.525 0 CA-C-O 122.164 0.869 . . . . 0.0 112.931 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 48.39 69.26 0.57 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.718 1.247 . . . . 0.0 110.288 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -43.79 -88.8 0.01 OUTLIER Glycine 0 CA--C 1.508 -0.404 0 CA-C-N 115.191 -0.913 . . . . 0.0 114.705 -173.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -132.01 2.98 4.02 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 121.523 -0.987 . . . . 0.0 113.136 -174.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 . . . . . 1 C--O 1.379 7.904 0 CA-C-O 122.148 0.975 . . . . 0.0 110.542 173.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.1 tttm . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.918 0.866 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.99 93.22 8.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 122.097 0.951 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' HB2' HG12 ' A' ' 7' ' ' VAL . 4.1 m-30 -76.68 175.58 9.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.954 0.883 . . . . 0.0 110.958 177.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.63 146.77 44.19 Favored Glycine 0 C--N 1.32 -0.329 0 CA-C-O 122.669 1.149 . . . . 0.0 112.522 -174.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 55.23 72.39 0.48 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.028 0.918 . . . . 0.0 111.822 174.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 46.07 44.57 14.27 Favored Glycine 0 C--O 1.24 0.493 0 CA-C-N 115.766 -0.652 . . . . 0.0 114.013 173.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.463 HG13 ' SG ' ' A' ' 14' ' ' CYS . 40.8 t -112.59 143.12 22.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 121.499 -1.001 . . . . 0.0 110.771 174.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.41 ' CG ' ' C ' ' A' ' 7' ' ' VAL . 1.6 m80 -148.3 97.45 2.77 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 122.019 0.914 . . . . 0.0 111.039 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 3.4 m -94.25 141.54 28.44 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.932 0.873 . . . . 0.0 110.641 176.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.493 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 2.6 p -130.15 54.77 1.84 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.884 0.85 . . . . 0.0 111.174 -174.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 10' ' ' THR . 0.1 OUTLIER 50.07 28.17 2.86 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.461 0.648 . . . . 0.0 111.663 179.407 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.2 p -140.97 21.83 2.28 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 121.471 -0.768 . . . . 0.0 111.654 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' ' 14' ' ' CYS . . . 115.38 -107.49 1.75 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -174.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 1.0 OUTLIER 179.95 154.94 0.57 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.283 1.04 . . . . 0.0 111.139 174.156 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.6 66.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.93 0.871 . . . . 0.0 110.544 -175.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.659 HG11 ' NE1' ' A' ' 18' ' ' TRP . 9.6 p -52.4 122.82 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 122.022 0.915 . . . . 0.0 111.756 -174.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -91.09 70.37 6.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 122.321 1.058 . . . . 0.0 109.912 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.659 ' NE1' HG11 ' A' ' 16' ' ' VAL . 22.3 m95 -50.74 -19.92 1.1 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -176.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.05 -48.81 18.7 Favored Glycine 0 N--CA 1.468 0.776 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 174.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.34 -15.38 16.0 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.084 -0.657 . . . . 0.0 112.677 173.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -35.58 29.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.913 0.864 . . . . 0.0 111.238 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.68 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -71.03 -34.68 71.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.124 0.964 . . . . 0.0 110.863 175.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.36 -31.23 62.32 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.058 0.932 . . . . 0.0 110.909 174.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 28' ' ' ARG . . . -66.64 -32.48 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.987 0.898 . . . . 0.0 110.919 174.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.1 -32.16 53.32 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 22' ' ' PHE . 91.2 t -63.77 -58.42 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 122.798 1.285 . . . . 0.0 110.625 173.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -48.51 -42.32 32.74 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.179 174.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -73.42 -30.68 63.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.945 0.879 . . . . 0.0 110.974 179.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.98 -38.24 75.7 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.766 0.793 . . . . 0.0 110.766 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.35 -99.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.497 0.665 . . . . 0.0 110.458 174.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 52.16 34.18 13.83 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 123.79 1.757 . . . . 0.0 110.709 176.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.02 82.74 0.66 Allowed Glycine 0 N--CA 1.46 0.273 0 O-C-N 121.051 -1.031 . . . . 0.0 110.95 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.67 103.28 1.05 Allowed Glycine 0 C--N 1.32 -0.316 0 CA-C-O 122.618 1.121 . . . . 0.0 110.813 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.35 36.52 4.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.046 0.927 . . . . 0.0 110.92 -175.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -133.02 -100.35 0.74 Allowed Glycine 0 C--N 1.32 -0.334 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.8 t80 32.13 70.6 0.09 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.606 1.163 . . . . 0.0 112.942 178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 C--O 1.38 7.951 0 CA-C-O 122.102 0.953 . . . . 0.0 111.115 -174.728 . . . . . . . . 2 2 . 1 stop_ save_